Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T20891 | Target Info | |||
| Target Name | Phosphoinositide dependent protein kinase-1 (PDPK1) | ||||
| Synonyms | PDK1; HPDK1; 3-phosphoinositide-dependent protein kinase 1; 3-Phosphoinositide-dependent kinase-1; 3'-phosphoinositide dependent kinase 1 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PDPK1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | L-serine-O-phosphate | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 | ||||
| InChIKey | BZQFBWGGLXLEPQ-REOHCLBHSA-N | ||||
| PubChem Compound ID | 68841 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3ORZ PDK1 mutant bound to allosteric disulfide fragment activator 2A2 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [1] |
| PDB Sequence |
PRKKRPEDFK
83 FGKILGEGSF93 STVVLARELA103 TSREYAIKIL113 EKRHIIKENK123 VPYVTRERDV 133 MSRLDHPFFV143 KLYFCFQDDE153 KLYFGLSYAK163 NGELLKYIRK173 IGSFDETCTR 183 FYTAEIVSAL193 EYLHGKGIIH203 RDLKPENILL213 NEDMHIQITD223 FGTAKVLSFV 243 GTAQYVSPEL253 LTEKSACKSS263 DLWALGCIIY273 QLVAGLPPFR283 AGNEYLIFQK 293 IIKLEYDFPE303 KFFPKARDLV313 EKLLVLDATK323 RLGCEEMEGY333 GPLKAHPFFE 343 SVTWENLHQQ353 TPPKLT
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| PDB ID: 3OTU PDK1 mutant bound to allosteric disulfide fragment activator JS30 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [1] |
| PDB Sequence |
KRPEDFKFGK
86 ILGESFSTVV97 LARELATSRE107 YAIKILEKRH117 IIKENKVPYV127 TRERDVMSRL 137 DHPFFVKLYF147 CFQDDEKLYF157 GLSYAKNGEL167 LKYIRKIGSF177 DETCTRFYTA 187 EIVSALEYLH197 GKGIIHRDLK207 PENILLNEDM217 HIQITDFGTA227 KVLSARANFV 243 GTAQYVSPEL253 LTEKSACKSS263 DLWALGCIIY273 QLVAGLPPFR283 AGNEYLIFQK 293 IIKLEYDFPE303 KFFPKARDLV313 EKLLVLDATK323 RLGCEEMEGY333 GPLKAHPFFE 343 SVTWENLHQQ353 TPPKLT
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| PDB ID: 3ORX PDK1 mutant bound to allosteric disulfide fragment inhibitor 1F8 | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [1] |
| PDB Sequence |
RKKRPEDFKF
84 GKILGEGSFS94 TVVLARELAT104 SREYAIKILE114 KRHIIKENKV124 PYVTRERDVM 134 SRLDHPFFVK144 LYFCFQDDEK154 LYFGLSYAKN164 GELLKYIRKI174 GSFDETCTRF 184 YTAEIVSALE194 YLHGKGIIHR204 DLKPENILLN214 EDMHIQITDF224 GTAKVLSPES 234 KQRANFVGTA246 QYVSPELLTE256 KSACKSSDLW266 ALGCIIYQLV276 AGLPPFRAGN 286 EYLIFQKIIK296 LEYDFPEKFF306 PKARDLVEKL316 LVLDATKRLG326 CEEMEGYGPL 336 KAHPFFESVT346 WENLHQQTPP356 KLT
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| PDB ID: 3QC4 PDK1 in complex with DFG-OUT inhibitor xxx | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
KKRPEDFKFG
85 KILGEGSFST95 VVLARELATS105 REYAIKILEK115 RHIIKENKVP125 YVTRERDVMS 135 RLDHPFFVKL145 YFTFQDDEKL155 YFGLSYAKNG165 ELLKYIRKIG175 SFDETCTRFY 185 TAEIVSALEY195 LHGKGIIHRD205 LKPENILLNE215 DMHIQITDFG225 TAKVLSANFV 243 GTAQYVSPEL253 LTEKSACKSS263 DLWALGCIIY273 QLVAGLPPFR283 AGNEYLIFQK 293 IIKLEYDFPA303 AFFPKARDLV313 EKLLVLDATK323 RLGCEEMEGY333 GPLKAHPFFE 343 SVTWENLHQQ353 TPPKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:204 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3QD3 Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl {(3R,6S)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-3-piperidinyl}carbamate | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [3] |
| PDB Sequence |
PPQPRKKRPE
80 DFKFGKILGE90 GSFSTVVLAR100 ELATSREYAI110 KILEKRHIIK120 ENKVPYVTRE 130 RDVMSRLDHP140 FFVKLYFTFQ150 DDEKLYFGLS160 YAKNGELLKY170 IRKIGSFDET 180 CTRFYTAEIV190 SALEYLHGKG200 IIHRDLKPEN210 ILLNEDMHIQ220 ITDFGTAKVL 230 SFVGTAQYVS250 PELLTEKSAC260 KSSDLWALGC270 IIYQLVAGLP280 PFRAGNEYLI 290 FQKIIKLEYD300 FPEKFFPKAR310 DLVEKLLVLD320 ATKRLGCEEM330 EGYGPLKAHP 340 FFESVTWENL350 HQQTPPKL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:204 or .A:228 or .A:242 or .A:243 or .A:257; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3IOP PDK-1 in complex with the inhibitor Compound-8i | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [4] |
| PDB Sequence |
RKKRPEDFKF
84 GKILGEGSFS94 TVVLARELAT104 SREYAIKILE114 KRHIIKENKV124 PYVTRERDVM 134 SRLDHPFFVK144 LYFTFQDDEK154 LYFGLSYAKN164 GELLKYIRKI174 GSFDETCTRF 184 YTAEIVSALE194 YLHGKGIIHR204 DLKPENILLN214 EDMHIQITDF224 GTAKVLSFVG 244 TAQYVSPELL254 TEKSACKSSD264 LWALGCIIYQ274 LVAGLPPFRA284 GNEYLIFQKI 294 IKLEYDFPEK304 FFPKARDLVE314 KLLVLDATKR324 LGCEEMEGYG334 PLKAHPFFES 344 VTWENLHQQT354 PPKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:228 or .A:242 or .A:243 or .A:253 or .A:257; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3QCX Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-{2-Amino-6-[(3R)-3-methyl-4-morpholinyl]-4-pyrimidinyl}-1H-indazol-3-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [3] |
| PDB Sequence |
QPRKKRPEDF
82 KFGKILGEGS92 FSTVVLAREL102 ATSREYAIKI112 LEKRHIIKEN122 KVPYVTRERD 132 VMSRLDHPFF142 VKLYFTFQDD152 EKLYFGLSYA162 KNGELLKYIR172 KIGSFDETCT 182 RFYTAEIVSA192 LEYLHGKGII202 HRDLKPENIL212 LNEDMHIQIT222 DFGTAKVLSF 242 VGTAQYVSPE252 LLTEKSACKS262 SDLWALGCII272 YQLVAGLPPF282 RAGNEYLIFQ 292 KIIKLEYDFP302 EKFFPKARDL312 VEKLLVLDAT322 KRLGCEEMEG332 YGPLKAHPFF 342 ESVTWENLHQ352 QTPPKL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:204 or .A:228 or .A:242 or .A:243 or .A:257; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3QCS Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-[2-Amino-6-(4-morpholinyl)-4-pyrimidinyl]-1H-indazol-3-amine | ||||||
| Method | X-ray diffraction | Resolution | 2.49 Å | Mutation | No | [3] |
| PDB Sequence |
QPRKKRPEDF
82 KFGKILGEGS92 FSTVVLAREL102 ATSREYAIKI112 LEKRHIIKEN122 KVPYVTRERD 132 VMSRLDHPFF142 VKLYFTFQDD152 EKLYFGLSYA162 KNGELLKYIR172 KIGSFDETCT 182 RFYTAEIVSA192 LEYLHGKGII202 HRDLKPENIL212 LNEDMHIQIT222 DFGTAKVLSF 242 VGTAQYVSPE252 LLTEKSACKS262 SDLWALGCII272 YQLVAGLPPF282 RAGNEYLIFQ 292 KIIKLEYDFP302 EKFFPKARDL312 VEKLLVLDAT322 KRLGCEEMEG332 YGPLKAHPFF 342 ESVTWENLHQ352 QTPPKL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:228 or .A:242 or .A:243 or .A:257; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3QCQ Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-(3-Amino-1H-indazol-6-yl)-N4-ethyl-2,4-pyrimidinediamine | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [3] |
| PDB Sequence |
QPRKKRPEDF
82 KFGKILGEGS92 FSTVVLAREL102 ATSREYAIKI112 LEKRHIIKEN122 KVPYVTRERD 132 VMSRLDHPFF142 VKLYFTFQDD152 EKLYFGLSYA162 KNGELLKYIR172 KIGSFDETCT 182 RFYTAEIVSA192 LEYLHGKGII202 HRDLKPENIL212 LNEDMHIQIT222 DFGTAKVLSF 242 VGTAQYVSPE252 LLTEKSACKS262 SDLWALGCII272 YQLVAGLPPF282 RAGNEYLIFQ 292 KIIKLEYDFP302 EKFFPKARDL312 VEKLLVLDAT322 KRLGCEEMEG332 YGPLKAHPFF 342 ESVTWENLHQ352 QTPPKL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:228 or .A:242 or .A:243 or .A:257; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5LVO Human PDK1 Kinase Domain in Complex with Allosteric Compound PSE10 Bound to the PIF-Pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.09 Å | Mutation | Yes | [5] |
| PDB Sequence |
QPRKKRPEDF
82 KFGKILGEGS92 FSTVVLAREL102 ATSREYAIKI112 LEKRHIIKEN122 KVPYVTRERD 132 VMSRLDHPFF142 VKLYFTFQDD152 EKLYFGLSYA162 KNGELLKYIR172 KIGSFDETCT 182 RFYTAEIVSA192 LEYLHGKGII202 HRDLKPENIL212 LNEDMHIQIT222 DFGTAKVLSP 232 ESKQARANFV243 GTAQYVSPEL253 LTEKSACKSS263 DLWALGCIIY273 QLVAGLPPFR 283 AGNEGLIFAK293 IIKLEYDFPE303 KFFPKARDLV313 EKLLVLDATK323 RLGCEEMEGY 333 GPLKAHPFFE343 SVTWENLHQQ353 TPPKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:227 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5ACK Human PDK1 Kinase Domain in Complex with Allosteric Compound 7 Bound to the PIF-Pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.24 Å | Mutation | Yes | [6] |
| PDB Sequence |
QPRKKRPEDF
82 KFGKILGEGS92 FSTVVLAREL102 ATSREYAIKI112 LEKRHIIKEN122 KVPYVTRERD 132 VMSRLDHPFF142 VKLYFTFQDD152 EKLYFGLSYA162 KNGELLKYIR172 KIGSFDETCT 182 RFYTAEIVSA192 LEYLHGKGII202 HRDLKPENIL212 LNEDMHIQIT222 DFGTAKVLSP 232 ESKQARANFV243 GTAQYVSPEL253 LTEKSACKSS263 DLWALGCIIY273 QLVAGLPPFR 283 AGNEGLIFAK293 IIKLEYDFPE303 KFFPKARDLV313 EKLLVLDATK323 RLGCEEMEGY 333 GPLKAHPFFE343 SVTWENLHQQ353 TPPKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:129 or .A:204 or .A:227 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4CT2 Human PDK1-PKCzeta Kinase Chimera | ||||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | Yes | [7] |
| PDB Sequence |
RKKRPEDFKF
84 GKILGEGSFS94 TVVLARELAT104 SREYAIKIVE114 KRHVIPYVQR129 EKDVMSRLDH 139 PFFVKLYFCF149 QDDEKLYLGL159 SYAKNGELLK169 YIRKIGSFDE179 TCTRFYTAEI 189 VSALEYLHGK199 GIIHRDLKPE209 NILLNEDMHI219 QITDFGTAKV229 LSPESKQARA 239 NFVGTAQYVS250 PELLTEKSAC260 KSSDLWALGC270 IIYQLVAGLP280 PFRAGNEGLI 290 FAKIIKLEYD300 FPEKFFPKAR310 DLVEKLLVLD320 ATKRLGCEEM330 EGYGPLKAHP 340 FFESVTWENL350 HQQTPPKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:129 or .A:204 or .A:227 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5LVM Human PDK1 Kinase Domain in Complex with Adenine Bound to the ATP-Binding Site | ||||||
| Method | X-ray diffraction | Resolution | 1.26 Å | Mutation | Yes | [5] |
| PDB Sequence |
KKRPEDFKFG
85 KILGEGSFST95 VVLARELATS105 REYAIKILEK115 RHIIKENKVP125 YVTRERDVMS 135 RLDHPFFVKL145 YFTFQDDEKL155 YFGLSYAKNG165 ELLKYIRKIG175 SFDETCTRFY 185 TAEIVSALEY195 LHGKGIIHRD205 LKPENILLNE215 DMHIQITDFG225 TAKVLSPESK 235 QARANFVGTA246 QYVSPELLTE256 KSACKSSDLW266 ALGCIIYQLV276 AGLPPFRAGN 286 EGLIFAKIIK296 LEYDFPEKFF306 PKARDLVEKL316 LVLDATKRLG326 CEEMEGYGPL 336 KAHPFFESVT346 WENLHQQTPP356 KLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:129 or .A:204 or .A:227 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5LVN Human PDK1 Kinase Domain in Complex with Adenosine Bound to the ATP-Binding Site | ||||||
| Method | X-ray diffraction | Resolution | 1.38 Å | Mutation | Yes | [5] |
| PDB Sequence |
RKKRPEDFKF
84 GKILGEGSFS94 TVVLARELAT104 SREYAIKILE114 KRHIIKENKV124 PYVTRERDVM 134 SRLDHPFFVK144 LYFTFQDDEK154 LYFGLSYAKN164 GELLKYIRKI174 GSFDETCTRF 184 YTAEIVSALE194 YLHGKGIIHR204 DLKPENILLN214 EDMHIQITDF224 GTAKVLSPES 234 KQARANFVGT245 AQYVSPELLT255 EKSACKSSDL265 WALGCIIYQL275 VAGLPPFRAG 285 NEGLIFAKII295 KLEYDFPEKF305 FPKARDLVEK315 LLVLDATKRL325 GCEEMEGYGP 335 LKAHPFFESV345 TWENLHQQTP355 PKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:227 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5LVL Human PDK1 Kinase Domain in Complex with Compound PS653 Bound to the ATP-Binding Site | ||||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | Yes | [5] |
| PDB Sequence |
PRKKRPEDFK
83 FGKILGEGSF93 STVVLARELA103 TSREYAIKIL113 EKRHIIKENK123 VPYVTRERDV 133 MSRLDHPFFV143 KLYFTFQDDE153 KLYFGLSYAK163 NGELLKYIRK173 IGSFDETCTR 183 FYTAEIVSAL193 EYLHGKGIIH203 RDLKPENILL213 NEDMHIQITD223 FGTAKVLSPE 233 SKQARANFVG244 TAQYVSPELL254 TEKSACKSSD264 LWALGCIIYQ274 LVAGLPPFRA 284 GNEGLIFAKI294 IKLEYDFPEK304 FFPKARDLVE314 KLLVLDATKR324 LGCEEMEGYG 334 PLKAHPFFES344 VTWENLHQQT354 PPKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:129 or .A:204 or .A:227 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4RRV Crystal structure of PDK1 in complex with ATP and PIFtide | ||||||
| Method | X-ray diffraction | Resolution | 1.41 Å | Mutation | Yes | [8] |
| PDB Sequence |
KKRPEDFKFG
85 KILGEGSFST95 VVLARELATS105 REYAIKILEK115 RHIIKENKVP125 YVTRERDVMS 135 RLDHPFFVKL145 YFTFQDDEKL155 YFGLSYAKNG165 ELLKYIRKIG175 SFDETCTRFY 185 TAEIVSALEY195 LHGKGIIHRD205 LKPENILLNE215 DMHIQITDFG225 TAKVLSPESK 235 QARANFVGTA246 QYVSPELLTE256 KSACKSSDLW266 ALGCIIYQLV276 AGLPPFRAGN 286 EGLIFAKIIK296 LEYDFPEKFF306 PKARDLVEKL316 LVLDATKRLG326 CEEMEGYGPL 336 KAHPFFESVT346 WENLHQQTPP356 KLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:129 or .A:204 or .A:227 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253 or .A:258; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4AW0 Human PDK1 Kinase Domain in Complex with Allosteric Compound PS182 Bound to the PIF-Pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | Yes | [9] |
| PDB Sequence |
RKKRPEDFKF
84 GKILGEGSFS94 TVVLARELAT104 SREYAIKILE114 KRHIIKENKV124 PYVTRERDVM 134 SRLDHPFFVK144 LYFTFQDDEK154 LYFGLSYAKN164 GELLKYIRKI174 GSFDETCTRF 184 YTAEIVSALE194 YLHGKGIIHR204 DLKPENILLN214 EDMHIQITDF224 GTAKVLSPES 234 KQARANFVGT245 AQYVSPELLT255 EKSAKSSDLW266 ALGCIIYQLV276 AGLPPFRAGN 286 EGLIFAKIIK296 LEYDFPEKFF306 PKARDLVEKL316 LVLDATKRLG326 CEEMEGYGPL 336 KAHPFFESVT346 WENLHQQTPP356 KLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:129 or .A:204 or .A:227 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4RQV Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RS2 | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [8] |
| PDB Sequence |
PPQPRKKRPE
80 DFKFGKILGE90 GSFSTVVLAR100 ELATSREYAI110 KILEKRHIIK120 ENKVPYVTRE 130 RDVMSRLDHP140 FFVKLYFTFQ150 DDEKLYFGLS160 YAKNGELLKY170 IRKIGSFDET 180 CTRFYTAEIV190 SALEYLHGKG200 IIHRDLKPEN210 ILLNEDMHIQ220 ITDFGTAKVL 230 SPESKQARAN240 FVGTAQYVSP251 ELLTEKSACK261 SSDLWALGCI271 IYQLVAGLPP 281 FRAGNEGLIF291 AKIIKLEYDF301 PEKFFPKARD311 LVEKLLVLDA321 TKRLGCEEME 331 GYGPLKAHPF341 FESVTWENLH351 QQTPPKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:227 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253 or .A:258; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 4RQK Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RS1 | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [8] |
| PDB Sequence |
PRKKRPEDFK
83 FGKILGEGSF93 STVVLARELA103 TSREYAIKIL113 EKRHIIKENK123 VPYVTRERDV 133 MSRLDHPFFV143 KLYFTFQDDE153 KLYFGLSYAK163 NGELLKYIRK173 IGSFDETCTR 183 FYTAEIVSAL193 EYLHGKGIIH203 RDLKPENILL213 NEDMHIQITD223 FGTAKVLSPE 233 SKQARANFVG244 TAQYVSPELL254 TEKSACKSSD264 LWALGCIIYQ274 LVAGLPPFRA 284 GNEGLIFAKI294 IKLEYDFPEK304 FFPKARDLVE314 KLLVLDATKR324 LGCEEMEGYG 334 PLKAHPFFES344 VTWENLHQQT354 PPKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:129 or .A:204 or .A:227 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 4AW1 Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the PIF-Pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | Yes | [9] |
| PDB Sequence |
QHAQPPPRKK
77 RPEDFKFGKI87 LGEGSFSTVV97 LARELATSRE107 YAIKILEKRH117 IIKENKVPYV 127 TRERDVMSRL137 DHPFFVKLYF147 TFQDDEKLYF157 GLSYAKNGEL167 LKYIRKIGSF 177 DETCTRFYTA187 EIVSALEYLH197 GKGIIHRDLK207 PENILLNEDM217 HIQITDFGTA 227 KVLSARANFV243 GTAQYVSPEL253 LTEKSACKSS263 DLWALGCIIY273 QLVAGLPPFR 283 AGNEGLIFAK293 IIKLEYDFPE303 KFFPKARDLV313 EKLLVLDATK323 RLGCEEMEGY 333 GPLKAHPFFE343 SVTWENLHQQ353 TPPKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3RCJ Rapid preparation of triazolyl substituted NH-heterocyclic kinase inhibitors via one-pot Sonogashira coupling TMS-deprotection CuAAC sequence | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [10] |
| PDB Sequence |
KRPEDFKFGK
86 ILGEGSFSTV96 VLARELATSR106 EYAIKILEKR116 HIIKENKVPY126 VTRERDVMSR 136 LDHPFFVKLY146 FTFQDDEKLY156 FGLSYAKNGE166 LLKYIRKIGS176 FDETCTRFYT 186 AEIVSALEYL196 HGKGIIHRDL206 KPENILLNED216 MHIQITDFGT226 AKVLSPESKQ 236 ARANFVGTAQ247 YVSPELLTEK257 SACKSSDLWA267 LGCIIYQLVA277 GLPPFRAGNE 287 GLIFAKIIKL297 EYDFPEKFFP307 KARDLVEKLL317 VLDATKRLGC327 EEMEGYGPLK 337 AHPFFESVTW347 ENLHQQTPPK357 L
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:129 or .A:204 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4A07 Human PDK1 Kinase Domain in Complex with Allosteric Activator PS171 Bound to the PIF-Pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [11] |
| PDB Sequence |
RKKRPEDFKF
84 GKILGEGSFS94 TVVLARELAT104 SREYAIKILE114 KRHIIKENKV124 PYVTRERDVM 134 SRLDHPFFVK144 LYFTFQDDEK154 LYFGLSYAKN164 GELLKYIRKI174 GSFDETCTRF 184 YTAEIVSALE194 YLHGKGIIHR204 DLKPENILLN214 EDMHIQITDF224 GTAKVLSPES 234 KQARANFVGT245 AQYVSPELLT255 EKSAKSSDLW266 ALGCIIYQLV276 AGLPPFRAGN 286 EGLIFAKIIK296 LEYDFPEKFF306 PKARDLVEKL316 LVLDATKRLG326 CEEMEGYGPL 336 KAHPFFESVT346 WENLHQQTPP356 KLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:129 or .A:204 or .A:227 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253 or .A:259; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4CT1 Human PDK1-PKCzeta Kinase Chimera in Complex with Allosteric Compound PS315 Bound to the PIF-Pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [7] |
| PDB Sequence |
KKRPEDFKFG
85 KILGEGSFST95 VVLARELATS105 REYAIKIVEK115 RHVHKENKIP125 YVQREKDVMS 135 RLDHPFFVKL145 YFCFQDDEKL155 YLGLSYAKNG165 ELLKYIRKIG175 SFDETCTRFY 185 TAEIVSALEY195 LHGKGIIHRD205 LKPENILLNE215 DMHIQITDFG225 TAKVLSPESK 235 QARANFVGTA246 QYVSPELLTE256 KSACKSSDLW266 ALGCIIYQLV276 AGLPPFRAGN 286 EGLIFAKIIK296 LEYDFPEKFF306 PKARDLVEKL316 LVLDATKRLG326 CEEMEGYGPL 336 KAHPFFESVT346 WENLHQQTPP356 KLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:129 or .A:204 or .A:227 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3HRF Crystal structure of Human PDK1 kinase domain in complex with an allosteric activator bound to the PIF-pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [12] |
| PDB Sequence |
RKKRPEDFKF
84 GKILGEGSFS94 TVVLARELAT104 SREYAIKILE114 KRHIIKENKV124 PYVTRERDVM 134 SRLDHPFFVK144 LYFTFQDDEK154 LYFGLSYAKN164 GELLKYIRKI174 GSFDETCTRF 184 YTAEIVSALE194 YLHGKGIIHR204 DLKPENILLN214 EDMHIQITDF224 GTAKVLSPES 234 KQARANFVGT245 AQYVSPELLT255 EKSACKSSDL265 WALGCIIYQL275 VAGLPPFRAG 285 NEGLIFAKII295 KLEYDFPEKF305 FPKARDLVEK315 LLVLDATKRL325 GCEEMEGYGP 335 LKAHPFFESV345 TWENLHQQTP355 PKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:129 or .A:204 or .A:227 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3HRC Crystal structure of a mutant of human PDK1 Kinase domain in complex with ATP | ||||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | Yes | [12] |
| PDB Sequence |
KKRPEDFKFG
85 KILGEGSFST95 VVLARELATS105 REYAIKILEK115 RHIIKENKVP125 YVTRERDVMS 135 RLDHPFFVKL145 YFTFQDDEKL155 YFGLSYAKNG165 ELLKYIRKIG175 SFDETCTRFY 185 TAEIVSALEY195 LHGKGIIHRD205 LKPENILLNE215 DMHIQITDFG225 TAKVLSPARA 239 NFVGTAQYVS250 PELLTEKSAC260 KSSDLWALGC270 IIYQLVAGLP280 PFRAGNEGLI 290 FAKIIKLEYD300 FPEKFFPKAR310 DLVEKLLVLD320 ATKRLGCEEM330 EGYGPLKAHP 340 FFESVTWENL350 HQQTPPKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:129 or .A:204 or .A:227 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3RWP Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1) | ||||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | No | [13] |
| PDB Sequence |
QPRKKRPEDF
82 KFGKILGEGS92 FSTVVLAREL102 ATSREYAIKI112 LEKRHIIKEN122 KVPYVTRERD 132 VMSRLDHPFF142 VKLYFTFQDD152 EKLYFGLSYA162 KNGELLKYIR172 KIGSFDETCT 182 RFYTAEIVSA192 LEYLHGKGII202 HRDLKPENIL212 LNEDMHIQIT222 DFGTAKVLSF 242 VGTAQYVSPE252 LLTEKSACKS262 SDLWALGCII272 YQLVAGLPPF282 RAGNEYLIFQ 292 KIIKLEYDFP302 EKFFPKARDL312 VEKLLVLDAT322 KRLGCEEMEG332 YGPLKAHPFF 342 ESVTWENLHQ352 QTPPKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:228 or .A:242 or .A:243 or .A:257; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4A06 Human PDK1 Kinase Domain in Complex with Allosteric Activator PS114 Bound to the PIF-Pocket | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [11] |
| PDB Sequence |
RKKRPEDFKF
84 GKILGEGSFS94 TVVLARELAT104 SREYAIKILE114 KRHIIKENKV124 PYVTRERDVM 134 SRLDHPFFVK144 LYFTFQDDEK154 LYFGLSYAKN164 GELLKYIRKI174 GSFDETCTRF 184 YTAEIVSALE194 YLHGKGIIHR204 DLKPENILLN214 EDMHIQITDF224 GTAKVLSPES 234 KQARANFVGT245 AQYVSPELLT255 EKSACKSSDL265 WALGCIIYQL275 VAGLPPFRAG 285 NEGLIFAKII295 KLEYDFPEKF305 FPKARDLVEK315 LLVLDATKRL325 GCEEMEGYGP 335 LKAHPFFESV345 TWENLHQQTP355 PKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:129 or .A:204 or .A:227 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3H9O Phosphoinositide-dependent protein kinase 1 (PDK-1) in complex with compound 9 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [14] |
| PDB Sequence |
RKKRPEDFKF
84 GKILGEGSFS94 TVVLARELAT104 SREYAIKILE114 KRHIIKENKV124 PYVTRERDVM 134 SRLDHPFFVK144 LYFTFQDDEK154 LYFGLSYAKN164 GELLKYIRKI174 GSFDETCTRF 184 YTAEIVSALE194 YLHGKGIIHR204 DLKPENILLN214 EDMHIQITDF224 GTAKVLSFVG 244 TAQYVSPELL254 TEKSACKSSD264 LWALGCIIYQ274 LVAGLPPFRA284 GNEYLIFQKI 294 IKLEYDFPEK304 FFPKARDLVE314 KLLVLDATKR324 LGCEEMEGYG334 PLKAHPFFES 344 VTWENLHQQT354 PPKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:228 or .A:242 or .A:243 or .A:253 or .A:257; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5LVP Human PDK1 Kinase Domain in Complex with an HM-Peptide Bound to the PIF-Pocket | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [5] |
| PDB Sequence |
RKKRPEDFKF
84 GKILGEGSFS94 TVVLARELAT104 SREYAIKILE114 KRHIIKENKV124 PYVTRERDVM 134 SRLDHPFFVK144 LYFTFQDDEK154 LYFGLSYAKN164 GELLKYIRKI174 GSFDETCTRF 184 YTAEIVSALE194 YLHGKGIIHR204 DLKPENILLN214 EDMHIQITDF224 GTAKVLNFVG 244 TAQYVSPELL254 TEKSACKSSD264 LWALGCIIYQ274 LVAGLPPFRA284 GNEGLIFAKI 294 IKLEYDFPEK304 FFPKARDLVE314 KLLVLDATKR324 LGCEEMEGYG334 PLKAHPFFES 344 VTWENLHQQT354 PPKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:204 or .A:228 or .A:240 or .A:242 or .A:243 or .A:253 or .A:257; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 3RWQ Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1) | ||||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [13] |
| PDB Sequence |
PQPRKKRPED
81 FKFGKILGEG91 SFSTVVLARE101 LATSREYAIK111 ILEKRHIIKE121 NKVPYVTRER 131 DVMSRLDHPF141 FVKLYFTFQD151 DEKLYFGLSY161 AKNGELLKYI171 RKIGSFDETC 181 TRFYTAEIVS191 ALEYLHGKGI201 IHRDLKPENI211 LLNEDMHIQI221 TDFGTAKVLS 231 PARANFVGTA246 QYVSPELLTE256 KSACKSSDLW266 ALGCIIYQLV276 AGLPPFRAGN 286 EYLIFQKIIK296 LEYDFPEKFF306 PKARDLVEKL316 LVLDATKRLG326 CEEMEGYGPL 336 KAHPFFESVT346 WENLHQQTPP356 KLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3NAY PDK1 in complex with inhibitor MP6 | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [15] |
| PDB Sequence |
KKRPEDFKFG
85 KILGEGSFST95 VVLARELATS105 REYAIKILEK115 RHIIKENKVP125 YVTRERDVMS 135 RLDHPFFVKL145 YFTFQDDEKL155 YFGLSYAKNG165 ELLKYIRKIG175 SFDETCTRFY 185 TAEIVSALEY195 LHGKGIIHRD205 LKPENILLNE215 DMHIQITDFG225 TAKVLSNFVG 244 TAQYVSPELL254 TEKSACKSSD264 LWALGCIIYQ274 LVAGLPPFRA284 GNEYLIFQKI 294 IKLEYDFPEK304 FFPKARDLVE314 KLLVLDATKR324 LGCEEMEGYG334 PLKAHPFFES 344 VTWENLHQQT354 PPKLTAYL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:129 or .A:204 or .A:228 or .A:240 or .A:242 or .A:243 or .A:257; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 3SC1 Novel Isoquinolone PDK1 Inhibitors Discovered through Fragment-Based Lead Discovery | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [16] |
| PDB Sequence |
QPRKKRPEDF
82 KFGKILGEGS92 FSTVVLAREL102 ATSREYAIKI112 LEKRHIIKEN122 KVPYVTRERD 132 VMSRLDHPFF142 VKLYFTFQDD152 EKLYFGLSYA162 KNGELLKYIR172 KIGSFDETCT 182 RFYTAEIVSA192 LEYLHGKGII202 HRDLKPENIL212 LNEDMHIQIT222 DFGTAKVLSN 240 FVGTAQYVSP251 ELLTEKSACK261 SSDLWALGCI271 IYQLVAGLPP281 FRAGNEYLIF 291 QKIIKLEYDF301 PEKFFPKARD311 LVEKLLVLDA321 TKRLGCEEME331 GYGPLKAHPF 341 FESVTWENLH351 QQTPPKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:228 or .A:240 or .A:242 or .A:243 or .A:257; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4XX9 Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RF4 | ||||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | Yes | [17] |
| PDB Sequence |
PPQPRKKRPE
80 DFKFGKILGE90 GSFSTVVLAR100 ELATSREYAI110 KILEKRHIIK120 ENKVPYVTRE 130 RDVMSRLDHP140 FFVKLYFTFQ150 DDEKLYFGLS160 YAKNGELLKY170 IRKIGSFDET 180 CTRFYTAEIV190 SALEYLHGKG200 IIHRDLKPEN210 ILLNEDMHIQ220 ITDFGTAKVL 230 SPESKQARAN240 FVGTAQYVSP251 ELLTEKSACK261 SSDLWALGCI271 IYQLVAGLPP 281 FRAGNEGLIF291 AKIIKLEYDF301 PEKFFPKARD311 LVEKLLVLDA321 TKRLGCEEME 331 GYGPLKAHPF341 FESVTWENLH351 QQTPPKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:227 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 5MRD Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket | ||||||
| Method | X-ray diffraction | Resolution | 1.41 Å | Mutation | Yes | [18] |
| PDB Sequence |
SKRPEDFKFG
85 KILGEGSFST95 VVLARELATS105 REYAIKIVEK115 RHVNKENKIP125 YVQREKDVMS 135 RLDHPFFVKL145 YFCFQDDEKL155 YFGLSYAKNG165 ELLKYIRKIG175 SFDETCTRFY 185 TAEIVSALEY195 LHGKGIIHRD205 LKPENILLNE215 DMHIQITDFG225 TAKVLSPESK 235 QARANFVGTA246 QYVSPELLTE256 KSACKSSDLW266 ALGCIIYQLV276 AGLPPFRAGN 286 EGLIFAKIIK296 LEYDFPEKFF306 PKARDLVEKL316 LVLDATKRLG326 CEEMEGYGPL 336 KAHPFFESVT346 WENLHQQTPP356 KLT
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:129 or .A:204 or .A:227 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:253; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 1UU3 Structure of human PDK1 kinase domain in complex with LY333531 | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [19] |
| PDB Sequence |
QPRKKRPEDF
82 KFGKILGEGS92 FSTVVLAREL102 ATSREYAIKI112 LEKRHIIKEN122 KVPYVTRERD 132 VMSRLDHPFF142 VKLYFTFQDD152 EKLYFGLSYA162 KNGELLKYIR172 KIGSFDETCT 182 RFYTAEIVSA192 LEYLHGKGII202 HRDLKPENIL212 LNEDMHIQIT222 DFGTAKVLFV 243 GTAQYVSPEL253 LTEKSACKSS263 DLWALGCIIY273 QLVAGLPPFR283 AGNEYLIFQK 293 IIKLEYDFPE303 KFFPKARDLV313 EKLLVLDATK323 RLGCEEMEGY333 GPLKAHPFFE 343 SVTWENLHQQ353 TPPKLTA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:242 or .A:243; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 1UU7 Structure of human PDK1 kinase domain in complex with BIM-2 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [19] |
| PDB Sequence |
QPRKKRPEDF
82 KFGKILGEGS92 FSTVVLAREL102 ATSREYAIKI112 LEKRHIIKEN122 KVPYVTRERD 132 VMSRLDHPFF142 VKLYFTFQDD152 EKLYFGLSYA162 KNGELLKYIR172 KIGSFDETCT 182 RFYTAEIVSA192 LEYLHGKGII202 HRDLKPENIL212 LNEDMHIQIT222 DFGTAKVLSP 232 RANFVGTAQY248 VSPELLTEKS258 ACKSSDLWAL268 GCIIYQLVAG278 LPPFRAGNEY 288 LIFQKIIKLE298 YDFPEKFFPK308 ARDLVEKLLV318 LDATKRLGCE328 EMEGYGPLKA 338 HPFFESVTWE348 NLHQQTPPKL358 T
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:227 or .A:238 or .A:239 or .A:240 or .A:242 or .A:243; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 1OKY Structure of human PDK1 kinase domain in complex with staurosporine | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [20] |
| PDB Sequence |
PQPRKKRPED
81 FKFGKILGEG91 SFSTVVLARE101 LATSREYAIK111 ILEKRHIIKE121 NKVPYVTRER 131 DVMSRLDHPF141 FVKLYFTFQD151 DEKLYFGLSY161 AKNGELLKYI171 RKIGSFDETC 181 TRFYTAEIVS191 ALEYLHGKGI201 IHRDLKPENI211 LLNEDMHIQI221 TDFGTAKVLS 231 PANFVGTAQY248 VSPELLTEKS258 ACKSSDLWAL268 GCIIYQLVAG278 LPPFRAGNEY 288 LIFQKIIKLE298 YDFPEKFFPK308 ARDLVEKLLV318 LDATKRLGCE328 EMEGYGPLKA 338 HPFFESVTWE348 NLHQQTPPKL358 TA
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:227 or .A:239 or .A:240 or .A:242 or .A:243; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1UU8 Structure of human PDK1 kinase domain in complex with BIM-1 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [19] |
| PDB Sequence |
PQPRKKRPED
81 FKFGKILGEG91 SFSTVVLARE101 LATSREYAIK111 ILEKRHIIKE121 NKVPYVTRER 131 DVMSRLDHPF141 FVKLYFTFQD151 DEKLYFGLSY161 AKNGELLKYI171 RKIGSFDETC 181 TRFYTAEIVS191 ALEYLHGKGI201 IHRDLKPENI211 LLNEDMHIQI221 TDFGTAKVLS 231 NFVGTAQYVS250 PELLTEKSAC260 KSSDLWALGC270 IIYQLVAGLP280 PFRAGNEYLI 290 FQKIIKLEYD300 FPEKFFPKAR310 DLVEKLLVLD320 ATKRLGCEEM330 EGYGPLKAHP 340 FFESVTWENL350 HQQTPPKL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:240 or .A:242 or .A:243; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1OKZ Structure of human PDK1 kinase domain in complex with UCN-01 | ||||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | No | [20] |
| PDB Sequence |
QPRKKRPEDF
82 KFGKILGEGS92 FSTVVLAREL102 ATSREYAIKI112 LEKRHIIKEN122 KVPYVTRERD 132 VMSRLDHPFF142 VKLYFTFQDD152 EKLYFGLSYA162 KNGELLKYIR172 KIGSFDETCT 182 RFYTAEIVSA192 LEYLHGKGII202 HRDLKPENIL212 LNEDMHIQIT222 DFGTAKVLNF 242 VGTAQYVSPE252 LLTEKSACKS262 SDLWALGCII272 YQLVAGLPPF282 RAGNEYLIFQ 292 KIIKLEYDFP302 EKFFPKARDL312 VEKLLVLDAT322 KRLGCEEMEG332 YGPLKAHPFF 342 ESVTWENLHQ352 QTPPKLT
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:240 or .A:242 or .A:243 or .A:257; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2XCH Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [21] |
| PDB Sequence |
QPRKKRPEDF
82 KFGKILGEGS92 FSTVVLAREL102 ATSREYAIKI112 LEKRHIIKEN122 KVPYVTRERD 132 VMSRLDHPFF142 VKLYFTFQDD152 EKLYFGLSYA162 KNGELLKYIR172 KIGSFDETCT 182 RFYTAEIVSA192 LEYLHGKGII202 HRDLKPENIL212 LNEDMHIQIT222 DFGTAKVLSN 240 FVGTAQYVSP251 ELLTEKSACK261 SSDLWALGCI271 IYQLVAGLPP281 FRAGNEYLIF 291 QKIIKLEYDF301 PEKFFPKARD311 LVEKLLVLDA321 TKRLGCEEME331 GYGPLKAHPF 341 FESVTWENLH351 QQTPPKLT
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:228 or .A:240 or .A:242 or .A:243 or .A:257; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5HKM DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [22] |
| PDB Sequence |
KKRPEDFKFG
85 KILGEGSFST95 VVLARELATS105 REYAIKILEK115 RHIIKENKVP125 YVTRERDVMS 135 RLDHPFFVKL145 YFTFQDDEKL155 YFGLSYAKNG165 ELLKYIRKIG175 SFDETCTRFY 185 TAEIVSALEY195 LHGKGIIHRD205 LKPENILLNE215 DMHIQITDFG225 TAKVLFVGTA 246 QYVSPELLTE256 KSACKSSDLW266 ALGCIIYQLV276 AGLPPFRAGN286 EYLIFQKIIK 296 LEYDFPEKFF306 PKARDLVEKL316 LVLDATKRLG326 CEEMEGYGPL336 KAHPFFESVT 346 WENLHQQTPP356 KL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:228 or .A:242 or .A:243 or .A:257; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2XCK Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [21] |
| PDB Sequence |
KKRPEDFKFG
85 KILGEGSFST95 TVLARELATS105 REYAIKILEK115 RHIIKENKVP125 YVTRERDVMS 135 RLDHPFFVKL145 YFTFQDDEKL155 YFGLSYAKNG165 ELLKYIRKIG175 SFDETCTRFY 185 TAEIVSALEY195 LHGKGIIHRD205 LKPENILLNE215 DMHIQITDFG225 TAKVLSNFVG 244 TAQYVSPELL254 TEKSACKSSD264 LWALGCIIYQ274 LVAGLPPFRA284 GNEYLIFQKI 294 IKLEYDFPEK304 FFPKARDLVE314 KLLVLDATKR324 LGCEEMEGYG334 PLKAHPFFES 344 VTWENLHQQT354 PPKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:228 or .A:240 or .A:242 or .A:243 or .A:257; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5HO8 DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [22] |
| PDB Sequence |
PPQPRKKRPE
80 DFKFGKILGE90 GSFSTVVLAR100 ELATSREYAI110 KILEKRHIIK120 ENKVPYVTRE 130 RDVMSRLDHP140 FFVKLYFTFQ150 DDEKLYFGLS160 YAKNGELLKY170 IRKIGSFDET 180 CTRFYTAEIV190 SALEYLHGKG200 IIHRDLKPEN210 ILLNEDMHIQ220 ITDFGTAKVL 230 SFVGTAQYVS250 PELLTEKSAC260 KSSDLWALGC270 IIYQLVAGLP280 PFRAGNEYLI 290 FQKIIKLEYD300 FPEKFFPKAR310 DLVEKLLVLD320 ATKRLGCEEM330 EGYGPLKAHP 340 FFESVTWENL350 HQQTPPKL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:129 or .A:204 or .A:226 or .A:228 or .A:242 or .A:243 or .A:257; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5HO7 DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [22] |
| PDB Sequence |
PPQPRKKRPE
80 DFKFGKILGE90 GSFSTVVLAR100 ELATSREYAI110 KILEKRHIIK120 ENKVPYVTRE 130 RDVMSRLDHP140 FFVKLYFTFQ150 DDEKLYFGLS160 YAKNGELLKY170 IRKIGSFDET 180 CTRFYTAEIV190 SALEYLHGKG200 IIHRDLKPEN210 ILLNEDMHIQ220 ITDFGTAKVL 230 SPFVGTAQYV249 SPELLTEKSA259 CKSSDLWALG269 CIIYQLVAGL279 PPFRAGNEYL 289 IFQKIIKLEY299 DFPEKFFPKA309 RDLVEKLLVL319 DATKRLGCEE329 MEGYGPLKAH 339 PFFESVTWEN349 LHQQTPPKLT359
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:129 or .A:204 or .A:228 or .A:242 or .A:243 or .A:257; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5HNG DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | ||||||
| Method | X-ray diffraction | Resolution | 3.01 Å | Mutation | No | [22] |
| PDB Sequence |
PPQPRKKRPE
80 DFKFGKILGE90 GSFSTVVLAR100 ELATSREYAI110 KILEKRHIIK120 ENKVPYVTRE 130 RDVMSRLDHP140 FFVKLYFTFQ150 DDEKLYFGLS160 YAKNGELLKY170 IRKIGSFDET 180 CTRFYTAEIV190 SALEYLHGKG200 IIHRDLKPEN210 ILLNEDMHIQ220 ITDFGTAKVL 230 SPFVGTAQYV249 SPELLTEKSA259 CKSSDLWALG269 CIIYQLVAGL279 PPFRAGNEYL 289 IFQKIIKLEY299 DFPEKFFPKA309 RDLVEKLLVL319 DATKRLGCEE329 MEGYGPLKAH 339 PFFESVTWEN349 LHQQTPPKLT359
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:228 or .A:242 or .A:243 or .A:257 or .A:258; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3NUN phosphoinositide-dependent kinase-1 (PDK1) with lead compound | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [23] |
| PDB Sequence |
PPQPRKKRPE
80 DFKFGKILGE90 GSFSTVVLAR100 ELATSREYAI110 KILEKRHIIK120 ENKVPYVTRE 130 RDVMSRLDHP140 FFVKLYFTFQ150 DDEKLYFGLS160 YAKNGELLKY170 IRKIGSFDET 180 CTRFYTAEIV190 SALEYLHGKG200 IIHRDLKPEN210 ILLNEDMHIQ220 ITDFGTAKVL 230 SFVGTAQYVS250 PELLTEKSAC260 KSSDLWALGC270 IIYQLVAGLP280 PFRAGNEYLI 290 FQKIIKLEYD300 FPEKFFPKAR310 DLVEKLLVLD320 ATKRLGCEEM330 EGYGPLKAHP 340 FFESVTWENL350 HQQTPPKL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:227 or .A:228 or .A:242 or .A:243 or .A:257; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1H1W High resolution crystal structure of the human PDK1 catalytic domain | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [24] |
| PDB Sequence |
PPQPRKKRPE
80 DFKFGKILGE90 GSFSTVVLAR100 ELATSREYAI110 KILEKRHIIK120 ENKVPYVTRE 130 RDVMSRLDHP140 FFVKLYFTFQ150 DDEKLYFGLS160 YAKNGELLKY170 IRKIGSFDET 180 CTRFYTAEIV190 SALEYLHGKG200 IIHRDLKPEN210 ILLNEDMHIQ220 ITDFGTAKVL 230 SPARANFVGT245 AQYVSPELLT255 EKSACKSSDL265 WALGCIIYQL275 VAGLPPFRAG 285 NEYLIFQKII295 KLEYDFPEKF305 FPKARDLVEK315 LLVLDATKRL325 GCEEMEGYGP 335 LKAHPFFESV345 TWENLHQQTP355 PKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:257; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1UVR Structure of human PDK1 kinase domain in complex with BIM-8 | ||||||
| Method | X-ray diffraction | Resolution | 2.81 Å | Mutation | No | [19] |
| PDB Sequence |
PPQPRKKRPE
80 DFKFGKILGE90 GSFSTVVLAR100 ELATSREYAI110 KILEKRHIIK120 ENKVPYVTRE 130 RDVMSRLDHP140 FFVKLYFTFQ150 DDEKLYFGLS160 YAKNGELLKY170 IRKIGSFDET 180 CTRFYTAEIV190 SALEYLHGKG200 IIHRDLKPEN210 ILLNEDMHIQ220 ITDFGTAKVL 230 SPARANFVGT245 AQYVSPELLT255 EKSACKSSDL265 WALGCIIYQL275 VAGLPPFRAG 285 NEYLIFQKII295 KLEYDFPEKF305 FPKARDLVEK315 LLVLDATKRL325 GCEEMEGYGP 335 LKAHPFFESV345 TWENLHQQTP355 PKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:228 or .A:239 or .A:240 or .A:242 or .A:243 or .A:257; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1UU9 Structure of human PDK1 kinase domain in complex with BIM-3 | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [19] |
| PDB Sequence |
PQPRKKRPED
81 FKFGKILGEG91 SFSTVVLARE101 LATSREYAIK111 ILEKRHIIKE121 NKVPYVTRER 131 DVMSRLDHPF141 FVKLYFTFQD151 DEKLYFGLSY161 AKNGELLKYI171 RKIGSFDETC 181 TRFYTAEIVS191 ALEYLHGKGI201 IHRDLKPENI211 LLNEDMHIQI221 TDFGTAKVLN 240 FVGTAQYVSP251 ELLTEKSACK261 SSDLWALGCI271 IYQLVAGLPP281 FRAGNEYLIF 291 QKIIKLEYDF301 PEKFFPKARD311 LVEKLLVLDA321 TKRLGCEEME331 GYGPLKAHPF 341 FESVTWENLH351 QQTPPK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:240 or .A:242 or .A:243; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 3NUU phosphoinositide-dependent kinase-1 (PDK1) with fragment11 | ||||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [25] |
| PDB Sequence |
QPRKKRPEDF
82 KFGKILGEGS92 FSTVVLAREL102 ATSREYAIKI112 LEKRHIIKEN122 KVPYVTRERD 132 VMSRLDHPFF142 VKLYFTFQDD152 EKLYFGLSYA162 KNGELLKYIR172 KIGSFDETCT 182 RFYTAEIVSA192 LEYLHGKGII202 HRDLKPENIL212 LNEDMHIQIT222 DFGTAKVLSF 242 VGTAQYVSPE252 LLTEKSACKS262 SDLWALGCII272 YQLVAGLPPF282 RAGNEYLIFQ 292 KIIKLEYDFP302 EKFFPKARDL312 VEKLLVLDAT322 KRLGCEEMEG332 YGPLKAHPFF 342 ESVTWENLHQ352 QTPPKL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:129 or .A:204 or .A:227 or .A:228 or .A:242 or .A:243 or .A:257; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 3NUY phosphoinositide-dependent kinase-1 (PDK1) with fragment17 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [25] |
| PDB Sequence |
QPRKKRPEDF
82 KFGKILGEGS92 FSTVVLAREL102 ATSREYAIKI112 LEKRHIIKEN122 KVPYVTRERD 132 VMSRLDHPFF142 VKLYFTFQDD152 EKLYFGLSYA162 KNGELLKYIR172 KIGSFDETCT 182 RFYTAEIVSA192 LEYLHGKGII202 HRDLKPENIL212 LNEDMHIQIT222 DFGTAKVLSF 242 VGTAQYVSPE252 LLTEKSACKS262 SDLWALGCII272 YQLVAGLPPF282 RAGNEYLIFQ 292 KIIKLEYDFP302 EKFFPKARDL312 VEKLLVLDAT322 KRLGCEEMEG332 YGPLKAHPFF 342 ESVTWENLHQ352 QTPPKL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:228 or .A:242 or .A:243 or .A:257; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2PE2 CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 3-{5-[2-Oxo-5-ureido-1,2-dihydro-indol-(3Z)-ylidenemethyl]-1H-pyrrol-3-yl}-N-(2-piperidin-1-yl-ethyl)-benzamide COMPLEX | ||||||
| Method | X-ray diffraction | Resolution | 2.13 Å | Mutation | Yes | [26] |
| PDB Sequence |
PRKKRPEDFK
83 FGKILGEGSF93 STVVLARELA103 TSREYAIKIL113 EKRHIIKENK123 VPYVTRERDV 133 MSRLDHPFFV143 KLYFTFQDDE153 KLYFGLSYAK163 NGELLKYIRK173 IGSFDETCTR 183 FYTAEIVSAL193 EYLHGKGIIH203 RDLKPENILL213 NEDMHIQITD223 FGTAKVLFVG 244 TAQYVSPELL254 TEKSACKSSD264 LWALGCIIYQ274 LVAGLPPFRA284 GNEYLIFQKI 294 IKLEYDFPEK304 FFPKARDLVE314 KLLVLDATKR324 LGCEEMEGYG334 PLKAHPFFES 344 VTWENLHQQT354 PPKLT
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:228 or .A:242 or .A:243 or .A:257; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2PE1 CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) {2-Oxo-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-2,3-dihydro-1H-indol-5-yl}-urea {BX-517} COMPLEX | ||||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | Yes | [27] |
| PDB Sequence |
PRKKRPEDFK
83 FGKILGEGSF93 STVVLARELA103 TSREYAIKIL113 EKRHIIKENK123 VPYVTRERDV 133 MSRLDHPFFV143 KLYFTFQDDE153 KLYFGLSYAK163 NGELLKYIRK173 IGSFDETCTR 183 FYTAEIVSAL193 EYLHGKGIIH203 RDLKPENILL213 NEDMHIQITD223 FGTAKVLFVG 244 TAQYVSPELL254 TEKSACKSSD264 LWALGCIIYQ274 LVAGLPPFRA284 GNEYLIFQKI 294 IKLEYDFPEK304 FFPKARDLVE314 KLLVLDATKR324 LGCEEMEGYG334 PLKAHPFFES 344 VTWENLHQQT354 PPKLT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:228 or .A:242 or .A:243 or .A:257; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1Z5M Crystal Structure Of N1-[3-[[5-bromo-2-[[3-[(1-pyrrolidinylcarbonyl)amino]phenyl]amino]-4-pyrimidinyl]amino]propyl]-2,2-dimethylpropanediamide Complexed with Human PDK1 | ||||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | Yes | [28] |
| PDB Sequence |
PRKKRPEDFK
83 FGKILGEGSF93 STVVLARELA103 TSREYAIKIL113 EKRHIIKENK123 VPYVTRERDV 133 MSRLDHPFFV143 KLYFTFQDDE153 KLYFGLSYAK163 NGELLKYIRK173 IGSFDETCTR 183 FYTAEIVSAL193 EYLHGKGIIH203 RDLKPENILL213 NEDMHIQITD223 FGTAKVLFVG 244 TAQYVSPELL254 TEKSACKSSD264 LWALGCIIYQ274 LVAGLPPFRA284 GNEYLIFQKI 294 IKLEYDFPEK304 FFPKARDLVE314 KLLVLDATKR324 LGCEEMEGYG334 PLKAHPFFES 344 VTWENLHQQT354 PPKLT
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:227 or .A:242 or .A:243 or .A:257; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 2PE0 CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-Hydroxy-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one COMPLEX | ||||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | Yes | [27] |
| PDB Sequence |
PRKKRPEDFK
83 FGKILGEGSF93 STVVLARELA103 TSREYAIKIL113 EKRHIIKENK123 VPYVTRERDV 133 MSRLDHPFFV143 KLYFTFQDDE153 KLYFGLSYAK163 NGELLKYIRK173 IGSFDETCTR 183 FYTAEIVSAL193 EYLHGKGIIH203 RDLKPENILL213 NEDMHIQITD223 FGTAKVLFVG 244 TAQYVSPELL254 TEKSACKSSD264 LWALGCIIYQ274 LVAGLPPFRA284 GNEYLIFQKI 294 IKLEYDFPEK304 FFPKARDLVE314 KLLVLDATKR324 LGCEEMEGYG334 PLKAHPFFES 344 VTWENLHQQT354 PPKLT
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:228 or .A:242 or .A:243 or .A:257; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3NUS phosphoinositide-dependent kinase-1 (PDK1) with fragment8 | ||||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [25] |
| PDB Sequence |
QPRKKRPEDF
82 KFGKILGEGS92 FSTVVLAREL102 ATSREYAIKI112 LEKRHIIKEN122 KVPYVTRERD 132 VMSRLDHPFF142 VKLYFTFQDD152 EKLYFGLSYA162 KNGELLKYIR172 KIGSFDETCT 182 RFYTAEIVSA192 LEYLHGKGII202 HRDLKPENIL212 LNEDMHIQIT222 DFGTAKVLSF 242 VGTAQYVSPE252 LLTEKSACKS262 SDLWALGCII272 YQLVAGLPPF282 RAGNEYLIFQ 292 KIIKLEYDFP302 EKFFPKARDL312 VEKLLVLDAT322 KRLGCEEMEG332 YGPLKAHPFF 342 ESVTWENLHQ352 QTPPKL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:126 or .A:129 or .A:204 or .A:228 or .A:242 or .A:243 or .A:257; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Turning a protein kinase on or off from a single allosteric site via disulfide trapping. Proc Natl Acad Sci U S A. 2011 Apr 12;108(15):6056-61. | ||||
| REF 2 | Discovery of a potent and highly selective PDK1 inhibitor via fragment-based drug discovery. Bioorg Med Chem Lett. 2011 May 15;21(10):3078-83. | ||||
| REF 3 | Structure-based design of potent and selective 3-phosphoinositide-dependent kinase-1 (PDK1) inhibitors. J Med Chem. 2011 Mar 24;54(6):1871-95. | ||||
| REF 4 | The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1). Eur J Med Chem. 2010 Apr;45(4):1379-86. | ||||
| REF 5 | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. Cell Chem Biol. 2016 Oct 20;23(10):1193-1205. | ||||
| REF 6 | Discovery of a Potent Allosteric Kinase Modulator by Combining Computational and Synthetic Methods. Angew Chem Int Ed Engl. 2015 Nov 16;54(47):13933-6. | ||||
| REF 7 | Molecular mechanism of regulation of the atypical protein kinase C by N-terminal domains and an allosteric small compound. Chem Biol. 2014 Jun 19;21(6):754-65. | ||||
| REF 8 | A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1. Proc Natl Acad Sci U S A. 2014 Dec 30;111(52):18590-5. | ||||
| REF 9 | Substrate-selective inhibition of protein kinase PDK1 by small compounds that bind to the PIF-pocket allosteric docking site. Chem Biol. 2012 Sep 21;19(9):1152-63. | ||||
| REF 10 | Rapid preparation of triazolyl substituted NH-heterocyclic kinase inhibitors via one-pot Sonogashira coupling-TMS-deprotection-CuAAC sequence. Org Biomol Chem. 2011 Jul 21;9(14):5129-36. | ||||
| REF 11 | Allosteric regulation of protein kinase PKCZeta by the N-terminal C1 domain and small compounds to the PIF-pocket. Chem Biol. 2011 Nov 23;18(11):1463-73. | ||||
| REF 12 | Structure and allosteric effects of low-molecular-weight activators on the protein kinase PDK1. Nat Chem Biol. 2009 Oct;5(10):758-64. | ||||
| REF 13 | Discovery of novel, potent, and selective inhibitors of 3-phosphoinositide-dependent kinase (PDK1). J Med Chem. 2011 Dec 22;54(24):8490-500. | ||||
| REF 14 | Benzo[c][2,7]naphthyridines as inhibitors of PDK-1. Bioorg Med Chem Lett. 2009 Sep 1;19(17):5225-8. | ||||
| REF 15 | Selective inhibition of PDK1 using an allosteric kinase inhibitor and RNAi impairs cancer cell migration and anchorage-independent growth of primary tumor lines | ||||
| REF 16 | Novel isoquinolone PDK1 inhibitors discovered through fragment-based lead discovery. J Comput Aided Mol Des. 2011 Jul;25(7):689-98. | ||||
| REF 17 | Small-Molecule Allosteric Modulators of the Protein Kinase PDK1 from Structure-Based Docking. J Med Chem. 2015 Oct 22;58(20):8285-8291. | ||||
| REF 18 | An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms. ACS Chem Biol. 2017 Feb 17;12(2):564-573. | ||||
| REF 19 | Interactions of LY333531 and other bisindolyl maleimide inhibitors with PDK1. Structure. 2004 Feb;12(2):215-26. | ||||
| REF 20 | Structural basis for UCN-01 (7-hydroxystaurosporine) specificity and PDK1 (3-phosphoinositide-dependent protein kinase-1) inhibition. Biochem J. 2003 Oct 15;375(Pt 2):255-62. | ||||
| REF 21 | Structure-based optimization of potent PDK1 inhibitors. Bioorg Med Chem Lett. 2010 Jul 15;20(14):4095-9. | ||||
| REF 22 | Discovery of novel 7-azaindoles as PDK1 inhibitors. Bioorg Med Chem Lett. 2016 Jul 1;26(13):3073-3080. | ||||
| REF 23 | Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery | ||||
| REF 24 | High resolution crystal structure of the human PDK1 catalytic domain defines the regulatory phosphopeptide docking site. EMBO J. 2002 Aug 15;21(16):4219-28. | ||||
| REF 25 | Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery. ACS Med Chem Lett. 2010 Jul 22;1(8):439-42. | ||||
| REF 26 | Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 2: optimization of BX-517. Bioorg Med Chem Lett. 2007 Jul 15;17(14):3819-25. | ||||
| REF 27 | Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: design, synthesis and biological activity. Bioorg Med Chem Lett. 2007 Jul 15;17(14):3814-8. | ||||
| REF 28 | Novel small molecule inhibitors of 3-phosphoinositide-dependent kinase-1. J Biol Chem. 2005 May 20;280(20):19867-74. | ||||
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