Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T40694 | Target Info | |||
| Target Name | Polo-like kinase 1 (PLK1) | ||||
| Synonyms | Serine/threonine-protein kinase PLK1; Serine/threonine-protein kinase 13; Serine-threonine protein kinase 13; STPK13; Plk1; PLK-1; PLK; Mitoticserine-threonine kinase polo-like kinase 1 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PLK1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Volasertib | Ligand Info | |||||
| Structure Description | PLK1 in complex with BI6727 | PDB:3FC2 | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | Yes | [1] |
| PDB Sequence |
AKEIPEVLVD
46 PRSRRRYVRG56 RFLGKGGFAK66 CFEISDADTK76 EVFAGKIVPK86 SLLLKPHQRE 96 KMSMEISIHR106 SLAHQHVVGF116 HGFFEDNDFV126 FVVLELCRRR136 SLLELHKRRK 146 ALTEPEARYY156 LRQIVLGCQY166 LHRNRVIHRD176 LKLGNLFLNE186 DLEVKIGDFG 196 LATKVEYDGE206 RKKVLCGTPN216 YIAPEVLSKK226 GHSFEVDVWS236 IGCIMYTLLV 246 GKPPFETSCL256 KETYLRIKKN266 EYSIPKHINP276 VAASLIQKML286 QTDPTARPTI 296 NELLNDEFFT306 SGYIPARLPI316 TCLTIPPRFS326 IAP
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| Ligand Name: Tilarginine | Ligand Info | |||||
| Structure Description | Crystal structure of Polo-like kinase 1 in complex with a pyrazoloquinazoline inhibitor | PDB:3KB7 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [2] |
| PDB Sequence |
EIPEVLVDPR
48 SRRRYVRGRF58 LGKGGFAKCF68 EISDADTKEV78 FAGKIVPKSL88 LLKPHQREKM 98 SMEISIHRSL108 AHQHVVGFHG118 FFEDNDFVFV128 VLELCRRRSL138 LELHKRRKAL 148 TEPEARYYLR158 QIVLGCQYLH168 RNRVIHRDLK178 LGNLFLNEDL188 EVKIGDFGLA 198 TKVEYDGERK208 KTLCGTPNYI218 APEVLSKKGH228 SFEVDVWSIG238 CIMYTLLVGK 248 PPFETSCLKE258 TYLRIKKNEY268 SIPKHINPVA278 ASLIQKMLQT288 DPTARPTINE 298 LLNDEFFTSG308 YIPARLPITC318 LTIPPFSIA
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| Ligand Name: PCM-075 | Ligand Info | |||||
| Structure Description | Crystal structure of Polo-like kinase 1 in complex with NMS-P937 | PDB:2YAC | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [3] |
| PDB Sequence |
EIPEVLVDPR
48 SRRRYVRGRF58 LGKGGFAKCF68 EISDADTKEV78 FAGKIVPKSL88 LLKPHQREKM 98 SMEISIHRSL108 AHQHVVGFHG118 FFEDNDFVFV128 VLELCRRRSL138 LELHKRRKAL 148 TEPEARYYLR158 QIVLGCQYLH168 RNRVIHRDLK178 LGNLFLNEDL188 EVKIGDFGLA 198 TKVEYDGERK208 KTLCGTPNYI218 APEVLSKKGH228 SFEVDVWSIG238 CIMYTLLVGK 248 PPFETSCLKE258 TYLRIKKNEY268 SIPKHINPVA278 ASLIQKMLQT288 DPTARPTINE 298 LLNDEFFTSG308 YIPARLPITC318 LTIPPRFSIA328 P
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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 .937 or .9372 or .9373 or :3937;style chemicals stick;color identity;select .A:57 or .A:59 or .A:60 or .A:61 or .A:62 or .A:67 or .A:69 or .A:80 or .A:82 or .A:101 or .A:114 or .A:130 or .A:131 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:139 or .A:140 or .A:180 or .A:183 or .A:194; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ARG57
3.022
LEU59
3.553
GLY60
3.768
LYS61
4.004
GLY62
4.856
CYS67
3.519
GLU69
4.207
ALA80
3.305
LYS82
2.801
GLU101
4.788
VAL114
4.115
LEU130
3.484
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| Ligand Name: BI 2536 | Ligand Info | |||||
| Structure Description | Structure of PLK1 in complex with BI2536 | PDB:2RKU | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [4] |
| PDB Sequence |
AKEIPEVLVD
46 PRSRRRYVRG56 RFLGKGGFAK66 CFEISDADTK76 EVFAGKIVPK86 SLLLKPHQRE 96 KMSMEISIHR106 SLAHQHVVGF116 HGFFEDNDFV126 FVVLELCRRR136 SLLELHKRRK 146 ALTEPEARYY156 LRQIVLGCQY166 LHRNRVIHRD176 LKLGNLFLNE186 DLEVKIGDFG 196 LATKVEYDGE206 RKKVLCGTPN216 YIAPEVLSKK226 GHSFEVDVWS236 IGCIMYTLLV 246 GKPPFETSCL256 KETYLRIKKN266 EYSIPKHINP276 VAASLIQKML286 QTDPTARPTI 296 NELLNDEFFT306 SGYIPARLPI316 TCLTIPPRFS326 IAPS
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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 .R78 or .R782 or .R783 or :3R78;style chemicals stick;color identity;select .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:62 or .A:67 or .A:69 or .A:80 or .A:81 or .A:82 or .A:114 or .A:130 or .A:131 or .A:132 or .A:133 or .A:134 or .A:136 or .A:183 or .A:194; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: TAK-960 | Ligand Info | |||||
| Structure Description | Crystal structure of PLK1 in complex with TAK-960 | PDB:4J53 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [5] |
| PDB Sequence |
KEIPEVLVDP
47 RSRRRYVRGR57 FLGKGGFAKC67 FEISDADTKE77 VFAGKIVPKS87 LLLKPHQREK 97 MSMEISIHRS107 LAHQHVVGFH117 GFFEDNDFVF127 VVLELCRRRS137 LLELHKRRKA 147 LTEPEARYYL157 RQIVLGCQYL167 HRNRVIHRDL177 KLGNLFLNED187 LEVKIGDFGL 197 ATKVEYDGER207 KKVLCGTPNY217 IAPEVLSKKG227 HSFEVDVWSI237 GCIMYTLLVG 247 KPPFETSCLK257 ETYLRIKKNE267 YSIPKHINPV277 AASLIQKMLQ287 TDPTARPTIN 297 ELLNDEFFTS307 GYIPARLPIT317 CLTIPPRFSI327 APS
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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 .1J4 or .1J42 or .1J43 or :31J4;style chemicals stick;color identity;select .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:62 or .A:67 or .A:69 or .A:80 or .A:82 or .A:114 or .A:130 or .A:131 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:183 or .A:194; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Ro5203280 | Ligand Info | |||||
| Structure Description | Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor | PDB:5TA8 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [6] |
| PDB Sequence |
AKEIPEVLVD
46 PRSRRRYVRG56 RFLGKGGFAK66 CFEISDADTK76 EVFAGKIVPK86 SLLLKPHQRE 96 KMSMEISIHR106 SLAHQHVVGF116 HGFFEDNDFV126 FVVLELCRRR136 SLLELHKRRK 146 ALTEPEARYY156 LRQIVLGCQY166 LHRNRVIHRD176 LKLGNLFLNE186 DLEVKIGDFG 196 LATKVEYDGE206 RKKVLCGTPN216 YIAPEVLSKK226 GHSFEVDVWS236 IGCIMYTLLV 246 GKPPFETSCL256 KETYLRIKKN266 EYSIPKHINP276 VAASLIQKML286 QTDPTARPTI 296 NELLNDEFFT306 SGYIPARLPI316 TCLTIPPRFS326 IAPS
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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 .79C or .79C2 or .79C3 or :379C;style chemicals stick;color identity;select .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:62 or .A:67 or .A:69 or .A:80 or .A:81 or .A:82 or .A:114 or .A:130 or .A:131 or .A:132 or .A:133 or .A:134 or .A:136 or .A:183 or .A:194; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: AMP-PNP | Ligand Info | |||||
| Structure Description | Structure of the Catalytic Domain of Human Polo-like Kinase 1 | PDB:2OU7 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [7] |
| PDB Sequence |
AKEIPEVLVD
46 PRSRRRYVRG56 RFLGKGGFAK66 CFEISDADTK76 EVFAGKIVPK86 SLLLKPHQRE 96 KMSMEISIHR106 SLAHQHVVGF116 HGFFEDNDFV126 FVVLELCRRR136 SLLELHKRRK 146 ALTEPEARYY156 LRQIVLGCQY166 LHRNRVIHRD176 LKLGNLFLNE186 DLEVKIGDFG 196 LATKVEYDGE206 RKKVLCGTPN216 YIAPEVLSKK226 GHSFEVDVWS236 IGCIMYTLLV 246 GKPPFETSCL256 KETYLRIKKN266 EYSIPKHINP276 VAASLIQKML286 QTDPTARPTI 296 NELLNDEFFT306 SGYIPARLPI316 TCLTIPPRFS326 IA
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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 .ANP or .ANP2 or .ANP3 or :3ANP;style chemicals stick;color identity;select .A:59 or .A:60 or .A:61 or .A:62 or .A:63 or .A:67 or .A:80 or .A:82 or .A:114 or .A:130 or .A:131 or .A:132 or .A:133 or .A:176 or .A:178 or .A:180 or .A:181 or .A:183 or .A:194; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Phosphonothreonine | Ligand Info | |||||
| Structure Description | Plk-1 polo-box domain in complex with histidine N(tau)-cyclized Macrocycle 5b. | PDB:6AX4 | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [8] |
| PDB Sequence |
HLSDMLQQLH
382 SVNASKPSER392 GLVRQEEAED402 PACIPIFWVS412 KWVDYSDKYG422 LGYQLCDNSV 432 GVLFNDSTRL442 ILYNDGDSLQ452 YIERDGTESY462 LTVSSHPNSL472 MKKITLLKYF 482 RNYMSEHLLK492 AGANITPRDE504 LARLPYLRTW514 FRTRSAIILH524 LSNGSVQINF 534 FQDHTKLILC544 PLMAAVTYID554 EKRDFRTYRL564 SLLEEYGCCK574 ELASRLRYAR 584 TMVDKLLSSR594 S
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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 .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:414 or .A:489 or .A:490 or .A:491 or .A:493 or .A:533 or .A:534 or .A:535 or .A:538 or .A:539 or .A:540 or .A:557; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: L-serine-O-phosphate | Ligand Info | |||||
| Structure Description | Polo-like kinase I Polo-box domain in complex with FMPPPMSpSM phosphopeptide from TCERG1 | PDB:3Q1I | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | Yes | [9] |
| PDB Sequence |
CHLSDMLQQL
381 HSVNASKPSE391 RGLVRQEEAE401 DPACIPIFWV411 SKWVDYSDKY421 GLGYQLCDNS 431 VGVLFNDSTR441 LILYNDGDSL451 QYIERDGTES461 YLTVSSHPNS471 LMKKITLLKY 481 FRNYMSEHLL491 KAGANITPRL508 PYLRTWFRTR518 SAIILHLSNG528 SVQINFFQDH 538 TKLILCPLMA548 AVTYIDEKRD558 FRTYRLSLLE568 EYGCCKELAS578 RLRYARTMVD 588 KLLSSR
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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:414 or .A:489 or .A:490 or .A:491 or .A:533 or .A:534 or .A:535 or .A:538 or .A:540; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-{[(6r)-7-Cyano-5-Cyclopentyl-6-Ethyl-5,6-Dihydroimidazo[1,5-F]pteridin-3-Yl]amino}-3-Methoxy-N-(1-Methylpiperidin-4-Yl)benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor. | PDB:5TA6 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [6] |
| PDB Sequence |
AKEIPEVLVD
46 PRSRRRYVRG56 RFLGKGGFAK66 CFEISDADTK76 EVFAGKIVPK86 SLLLKPHQRE 96 KMSMEISIHR106 SLAHQHVVGF116 HGFFEDNDFV126 FVVLELCRRR136 SLLELHKRRK 146 ALTEPEARYY156 LRQIVLGCQY166 LHRNRVIHRD176 LKLGNLFLNE186 DLEVKIGDFG 196 LATKVEYDGE206 RKKVLCGTPN216 YIAPEVLSKK226 GHSFEVDVWS236 IGCIMYTLLV 246 GKPPFETSCL256 KETYLRIKKN266 EYSIPKHINP276 VAASLIQKML286 QTDPTARPTI 296 NELLNDEFFT306 SGYIPARLPI316 TCLTIPPRFS326 IAPS
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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 .79D or .79D2 or .79D3 or :379D;style chemicals stick;color identity;select .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:67 or .A:69 or .A:80 or .A:81 or .A:82 or .A:101 or .A:114 or .A:130 or .A:131 or .A:132 or .A:133 or .A:134 or .A:136 or .A:183 or .A:193 or .A:194; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ARG57
3.778
PHE58
3.847
LEU59
3.388
GLY60
3.865
LYS61
3.643
CYS67
3.544
GLU69
3.324
ALA80
3.705
GLY81
4.432
LYS82
3.752
GLU101
4.949
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| Ligand Name: 4-(4-Methylpiperazin-1-Yl)-N-[5-(2-Thienylacetyl)-1,5-Dihydropyrrolo[3,4-C]pyrazol-3-Yl]benzamide | Ligand Info | |||||
| Structure Description | Structure of the Catalytic Domain of Human Polo-like Kinase 1 | PDB:2OWB | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [7] |
| PDB Sequence |
AKEIPEVLVD
46 PRSRRRYVRG56 RFLGKGGFAK66 CFEISDADTK76 EVFAGKIVPK86 SLLLKPHQRE 96 KMSMEISIHR106 SLAHQHVVGF116 HGFFEDNDFV126 FVVLELCRRR136 SLLELHKRRK 146 ALTEPEARYY156 LRQIVLGCQY166 LHRNRVIHRD176 LKLGNLFLNE186 DLEVKIGDFG 196 LATKVEYDGE206 RKKVLCGTPN216 YIAPEVLSKK226 GHSFEVDVWS236 IGCIMYTLLV 246 GKPPFETSCL256 KETYLRIKKN266 EYSIPKHINP276 VAASLIQKML286 QTDPTARPTI 296 NELLNDEFFT306 SGYIPARLPI316 TCLTIPPRFS326 IAPS
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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 .626 or .6262 or .6263 or :3626;style chemicals stick;color identity;select .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:62 or .A:65 or .A:66 or .A:67 or .A:69 or .A:80 or .A:82 or .A:114 or .A:130 or .A:131 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:183 or .A:194; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ARG57
3.674
PHE58
3.519
LEU59
3.354
GLY60
4.219
LYS61
3.835
GLY62
3.635
ALA65
3.689
LYS66
3.535
CYS67
3.633
GLU69
4.799
ALA80
3.350
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| Ligand Name: 9-Chloro-2-({5-[3-(Dimethylamino)propyl]-2-Methylpyridin-3-Yl}amino)-5,7-Dihydro-6h-Pyrimido[5,4-D][1]benzazepine-6-Thione | Ligand Info | |||||
| Structure Description | Structure of PLK1 kinase domain in complex with a benzolactam-derived inhibitor | PDB:3THB | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [10] |
| PDB Sequence |
EVLVDPRSRR
51 RYVRGRFLGK61 GGFAKCFEIS71 DADTKEVFAG81 KIVPKSLLLK91 PHQREKMSME 101 ISIHRSLAHQ111 HVVGFHGFFE121 DNDFVFVVLE131 LCRRRSLLEL141 HKRRKALTEP 151 EARYYLRQIV161 LGCQYLHRNR171 VIHRDLKLGN181 LFLNEDLEVK191 IGDFGLATKV 201 EYDGERKKVL211 CGTPNYIAPE221 VLSKKGHSFE231 VDVWSIGCIM241 YTLLVGKPPF 251 ETSCLKETYL261 RIKKNEYSIP271 KHINPVAASL281 IQKMLQTDPT291 ARPTINELLN 301 DEFFTSGYIP311 ARLPITCLTI321 PPRFSIA
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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 .3TA or .3TA2 or .3TA3 or :33TA;style chemicals stick;color identity;select .A:57 or .A:59 or .A:60 or .A:61 or .A:62 or .A:67 or .A:69 or .A:80 or .A:82 or .A:105 or .A:114 or .A:130 or .A:131 or .A:132 or .A:133 or .A:134 or .A:136 or .A:137 or .A:139 or .A:140 or .A:180 or .A:183 or .A:193 or .A:194; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ARG57
4.552
LEU59
3.554
GLY60
3.540
LYS61
3.460
GLY62
3.714
CYS67
3.747
GLU69
4.666
ALA80
3.610
LYS82
3.875
HIS105
4.498
VAL114
3.968
LEU130
4.004
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| Ligand Name: 1-Methyl-5-(2-{[5-(4-Methylpiperazin-1-Yl)-2-(Trifluoromethoxy)phenyl]amino}pyrimidin-4-Yl)-1h-Pyrrole-3-Carboxamide | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 5-(2-AMINO- PYRIMIDIN-4-YL)-1H-PYRROLE INHIBITOR | PDB:4A4L | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [11] |
| PDB Sequence |
EIPEVLVDPR
48 SRRRYVRGRF58 LGKGGFAKCF68 EISDADTKEV78 FAGKIVPKSL88 LLKPHQREKM 98 SMEISIHRSL108 AHQHVVGFHG118 FFEDNDFVFV128 VLELCRRRSL138 LELHKRRKAL 148 TEPEARYYLR158 QIVLGCQYLH168 RNRVIHRDLK178 LGNLFLNEDL188 EVKIGDFGLA 198 TKVEYDGERK208 KTLCGTPNYI218 APEVLSKKGH228 SFEVDVWSIG238 CIMYTLLVGK 248 PPFETSCLKE258 TYLRIKKNEY268 SIPKHINPVA278 ASLIQKMLQT288 DPTARPTINE 298 LLNDEFFTSG308 YIPARLPITC318 LTIPPRFSIA328 P
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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 .939 or .9392 or .9393 or :3939;style chemicals stick;color identity;select .A:57 or .A:59 or .A:60 or .A:61 or .A:62 or .A:67 or .A:80 or .A:82 or .A:101 or .A:114 or .A:130 or .A:131 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:139 or .A:140 or .A:180 or .A:181 or .A:183 or .A:194; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ARG57
3.333
LEU59
3.587
GLY60
4.559
LYS61
3.740
GLY62
3.727
CYS67
3.455
ALA80
3.576
LYS82
2.623
GLU101
4.697
VAL114
4.397
LEU130
4.231
GLU131
3.179
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| Ligand Name: 1H-Pyrazolo[4,3-h]quinazoline-3-carboxamide, 4,5-dihydro-8-[[2-methoxy-5-(4-methyl-1-piperazinyl)phenyl]amino]-1-methyl- | Ligand Info | |||||
| Structure Description | Crystal structure of Polo-like kinase 1 in complex with a pyrazoloquinazoline inhibitor | PDB:3KB7 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [2] |
| PDB Sequence |
EIPEVLVDPR
48 SRRRYVRGRF58 LGKGGFAKCF68 EISDADTKEV78 FAGKIVPKSL88 LLKPHQREKM 98 SMEISIHRSL108 AHQHVVGFHG118 FFEDNDFVFV128 VLELCRRRSL138 LELHKRRKAL 148 TEPEARYYLR158 QIVLGCQYLH168 RNRVIHRDLK178 LGNLFLNEDL188 EVKIGDFGLA 198 TKVEYDGERK208 KTLCGTPNYI218 APEVLSKKGH228 SFEVDVWSIG238 CIMYTLLVGK 248 PPFETSCLKE258 TYLRIKKNEY268 SIPKHINPVA278 ASLIQKMLQT288 DPTARPTINE 298 LLNDEFFTSG308 YIPARLPITC318 LTIPPFSIA
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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 .071 or .0712 or .0713 or :3071;style chemicals stick;color identity;select .A:59 or .A:60 or .A:67 or .A:69 or .A:80 or .A:82 or .A:101 or .A:114 or .A:130 or .A:131 or .A:132 or .A:133 or .A:134 or .A:136 or .A:137 or .A:139 or .A:140 or .A:180 or .A:181 or .A:183 or .A:194; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU59
3.556
GLY60
3.941
CYS67
3.579
GLU69
4.959
ALA80
3.489
LYS82
3.094
GLU101
4.771
VAL114
4.015
LEU130
3.517
GLU131
3.121
LEU132
3.801
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| Ligand Name: 1-Methyl-2-(2-{[5-(4-Methylpiperazin-1-Yl)-2-(Trifluoromethoxy)phenyl]amino}pyrimidin-4-Yl)-1,5,6,7-Tetrahydro-4h-Pyrrolo[3,2-C]pyridin-4-One | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 2-(2-AMINO- PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-PYRROLOPYRIDIN-4-ONE INHIBITOR | PDB:4A4O | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [11] |
| PDB Sequence |
EIPEVLVDPR
48 SRRRYVRGRF58 LGKGGFAKCF68 EISDADTKEV78 FAGKIVPKSL88 LLKPHQREKM 98 SMEISIHRSL108 AHQHVVGFHG118 FFEDNDFVFV128 VLELCRRRSL138 LELHKRRKAL 148 TEPEARYYLR158 QIVLGCQYLH168 RNRVIHRDLK178 LGNLFLNEDL188 EVKIGDFGLA 198 TKVEYDGERK208 KTLCGTPNYI218 APEVLSKKGH228 SFEVDVWSIG238 CIMYTLLVGK 248 PPFETSCLKE258 TYLRIKKNEY268 SIPKHINPVA278 ASLIQKMLQT288 DPTARPTINE 298 LLNDEFFTSG308 YIPARLPITC318 LTIPPRFSIA328 P
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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 .664 or .6642 or .6643 or :3664;style chemicals stick;color identity;select .A:57 or .A:59 or .A:60 or .A:61 or .A:62 or .A:65 or .A:67 or .A:69 or .A:80 or .A:82 or .A:114 or .A:130 or .A:131 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:139 or .A:140 or .A:180 or .A:183 or .A:193 or .A:194; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ARG57
3.333
LEU59
3.243
GLY60
3.691
LYS61
3.457
GLY62
3.216
ALA65
4.705
CYS67
3.733
GLU69
4.884
ALA80
3.443
LYS82
2.904
VAL114
4.737
LEU130
4.319
GLU131
3.284
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| Ligand Name: Mesotartaric acid | Ligand Info | |||||
| Structure Description | Structure of PLK1 in complex with BI2536 | PDB:2RKU | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [4] |
| PDB Sequence |
AKEIPEVLVD
46 PRSRRRYVRG56 RFLGKGGFAK66 CFEISDADTK76 EVFAGKIVPK86 SLLLKPHQRE 96 KMSMEISIHR106 SLAHQHVVGF116 HGFFEDNDFV126 FVVLELCRRR136 SLLELHKRRK 146 ALTEPEARYY156 LRQIVLGCQY166 LHRNRVIHRD176 LKLGNLFLNE186 DLEVKIGDFG 196 LATKVEYDGE206 RKKVLCGTPN216 YIAPEVLSKK226 GHSFEVDVWS236 IGCIMYTLLV 246 GKPPFETSCL256 KETYLRIKKN266 EYSIPKHINP276 VAASLIQKML286 QTDPTARPTI 296 NELLNDEFFT306 SGYIPARLPI316 TCLTIPPRFS326 IAPS
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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 .SRT or .SRT2 or .SRT3 or :3SRT;style chemicals stick;color identity;select .A:134 or .A:135 or .A:136 or .A:137 or .A:140 or .A:141 or .A:266 or .A:268 or .A:269 or .A:270 or .A:283 or .A:319; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-{[(7r)-9-Cyclopentyl-7-Ethenyl-7-Fluoro-5-Methyl-6-Oxo-6,7,8,9-Tetrahydro-5h-Pyrimido[4,5-B][1,4]diazepin-2-Yl]amino}-3-Methoxy-N-(4-Methylpiperazin-1-Yl)benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of PLK1 in complex with a pyrimidodiazepinone inhibitor | PDB:4J52 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [5] |
| PDB Sequence |
KEIPEVLVDP
47 RSRRRYVRGR57 FLGKGGFAKC67 FEISDADTKE77 VFAGKIVPKS87 LLLKPHQREK 97 MSMEISIHRS107 LAHQHVVGFH117 GFFEDNDFVF127 VVLELCRRRS137 LLELHKRRKA 147 LTEPEARYYL157 RQIVLGCQYL167 HRNRVIHRDL177 KLGNLFLNED187 LEVKIGDFGL 197 ATKVEYDGER207 KKVLCGTPNY217 IAPEVLSKKG227 HSFEVDVWSI237 GCIMYTLLVG 247 KPPFETSCLK257 ETYLRIKKNE267 YSIPKHINPV277 AASLIQKMLQ287 TDPTARPTIN 297 ELLNDEFFTS307 GYIPARLPIT317 CLTIPPRFSI327 APS
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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 .1J3 or .1J32 or .1J33 or :31J3;style chemicals stick;color identity;select .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:62 or .A:67 or .A:69 or .A:80 or .A:81 or .A:82 or .A:114 or .A:130 or .A:131 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:183 or .A:194; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ARG57
3.601
PHE58
3.545
LEU59
3.078
GLY60
3.816
LYS61
4.462
GLY62
4.169
CYS67
3.507
GLU69
4.465
ALA80
3.734
GLY81
3.493
LYS82
3.686
|
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| Ligand Name: 3-(8-phenyloctyl)-L-histidine | Ligand Info | |||||
| Structure Description | Plk-1 polo-box domain in complex with histidine N(tau)-cyclized Macrocycle 5b. | PDB:6AX4 | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [8] |
| PDB Sequence |
HLSDMLQQLH
382 SVNASKPSER392 GLVRQEEAED402 PACIPIFWVS412 KWVDYSDKYG422 LGYQLCDNSV 432 GVLFNDSTRL442 ILYNDGDSLQ452 YIERDGTESY462 LTVSSHPNSL472 MKKITLLKYF 482 RNYMSEHLLK492 AGANITPRDE504 LARLPYLRTW514 FRTRSAIILH524 LSNGSVQINF 534 FQDHTKLILC544 PLMAAVTYID554 EKRDFRTYRL564 SLLEEYGCCK574 ELASRLRYAR 584 TMVDKLLSSR594 S
|
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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 .56A or .56A2 or .56A3 or :356A;style chemicals stick;color identity;select .A:414 or .A:415 or .A:416 or .A:417 or .A:421 or .A:478 or .A:481 or .A:482 or .A:485 or .A:490 or .A:516; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Amylamine | Ligand Info | |||||
| Structure Description | Plk-1 polo-box domain in complex with histidine N(tau)-cyclized Macrocycle 5b. | PDB:6AX4 | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [8] |
| PDB Sequence |
HLSDMLQQLH
382 SVNASKPSER392 GLVRQEEAED402 PACIPIFWVS412 KWVDYSDKYG422 LGYQLCDNSV 432 GVLFNDSTRL442 ILYNDGDSLQ452 YIERDGTESY462 LTVSSHPNSL472 MKKITLLKYF 482 RNYMSEHLLK492 AGANITPRDE504 LARLPYLRTW514 FRTRSAIILH524 LSNGSVQINF 534 FQDHTKLILC544 PLMAAVTYID554 EKRDFRTYRL564 SLLEEYGCCK574 ELASRLRYAR 584 TMVDKLLSSR594 S
|
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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 .AML or .AML2 or .AML3 or :3AML;style chemicals stick;color identity;select .A:485 or .A:489 or .A:490 or .A:491; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-Acetyl-L-proline | Ligand Info | |||||
| Structure Description | Plk-1 polo-box domain in complex with histidine N(tau)-cyclized Macrocycle 5b. | PDB:6AX4 | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [8] |
| PDB Sequence |
HLSDMLQQLH
382 SVNASKPSER392 GLVRQEEAED402 PACIPIFWVS412 KWVDYSDKYG422 LGYQLCDNSV 432 GVLFNDSTRL442 ILYNDGDSLQ452 YIERDGTESY462 LTVSSHPNSL472 MKKITLLKYF 482 RNYMSEHLLK492 AGANITPRDE504 LARLPYLRTW514 FRTRSAIILH524 LSNGSVQINF 534 FQDHTKLILC544 PLMAAVTYID554 EKRDFRTYRL564 SLLEEYGCCK574 ELASRLRYAR 584 TMVDKLLSSR594 S
|
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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 .N7P or .N7P2 or .N7P3 or :3N7P;style chemicals stick;color identity;select .A:414 or .A:416 or .A:516 or .A:518 or .A:535; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide | Ligand Info | |||||
| Structure Description | PLK-1 polo-box domain in complex with a high affinity macrocycle synthesized using a novel glutamic acid analog | PDB:7MX1 | ||||
| Method | X-ray diffraction | Resolution | 1.64 Å | Mutation | No | [12] |
| PDB Sequence |
CHLSDMLQQL
381 HSVNASKPSE391 RGLVRQEEAE401 DPACIPIFWV411 SKWVDYSDKY421 GLGYQLCDNS 431 VGVLFNDSTR441 LILYNDGDSL451 QYIERDGTES461 YLTVSSHPNS471 LMKKITLLKY 481 FRNYMSEHLL491 KAGANITPRE501 GDARLPYLRT513 WFRTRSAIIL523 HLSNGSVQIN 533 FFQDHTKLIL543 CPLMAAVTYI553 DEKRDFRTYR563 LSLLEEYGCC573 KELASRLRYA 583 RTMVDKLLSS593
|
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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 .ZOY or .ZOY2 or .ZOY3 or :3ZOY;style chemicals stick;color identity;select .A:415 or .A:416 or .A:417 or .A:421 or .A:478 or .A:481 or .A:482 or .A:485 or .A:489 or .A:490 or .A:491; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-Iodobenzyl bromide | Ligand Info | |||||
| Structure Description | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with Alpha-Bromo-3-Iodotoluene. | PDB:5NJE | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [13] |
| PDB Sequence |
DCHLSDMLQQ
380 LHSVNASKPS390 ERGLVRQEEA400 EDPACIPIFW410 VSKWVDYSDK420 YGLGYQLCDN 430 SVGVLFNDST440 RLILYNDGDS450 LQYIERDGTE460 SYLTVSSHPN470 SLMKKITLLK 480 YFRNYMSEHL490 LKAGANITRL508 PYLRTWFRTR518 SAIILHLSNG528 SVQINFFQDH 538 TKLILCPLMA548 AVTYIDEKRD558 FRTYRLSLLE568 EYGCCKELAS578 RLRYARTMVD 588 KLLSS
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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 .8Z5 or .8Z52 or .8Z53 or :38Z5;style chemicals stick;color identity;select .A:415 or .A:417 or .A:421 or .A:478 or .A:481 or .A:482 or .A:485; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-[[3-[[5-(3-Iodobenzoyl)thiophene-2-carbonyl]amino]phenyl]methyl]propanedioic acid | Ligand Info | |||||
| Structure Description | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with JES107 | PDB:5NEI | ||||
| Method | X-ray diffraction | Resolution | 2.68 Å | Mutation | No | [14] |
| PDB Sequence |
DCHLSDMLQQ
380 LHSVNASKPS390 ERGLVRQEEA400 EDPACIPIFW410 VSKWVDYSDK420 YGLGYQLCDN 430 SVGVLFNDST440 RLILYNDGDS450 LQYIERDGTE460 SYLTVSSHPN470 SLMKKITLLK 480 YFRNYMSEHL490 LKAGANITRL508 PYLRTWFRTR518 SAIILHLSNG528 SVQINFFQDH 538 TKLILCPLMA548 AVTYIDEKRD558 FRTYRLSLLE568 EYGCCKELAS578 RLRYARTMVD 588 KLLSSR
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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 .8VB or .8VB2 or .8VB3 or :38VB;style chemicals stick;color identity;select .A:415 or .A:417 or .A:421 or .A:478 or .A:481 or .A:482 or .A:485 or .A:489; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-(2-Methoxyethoxy)ethanol | Ligand Info | |||||
| Structure Description | Polo-like kinase I Polo-box domain in complex with FMPPPMSpSM phosphopeptide from TCERG1 | PDB:3Q1I | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | Yes | [9] |
| PDB Sequence |
CHLSDMLQQL
381 HSVNASKPSE391 RGLVRQEEAE401 DPACIPIFWV411 SKWVDYSDKY421 GLGYQLCDNS 431 VGVLFNDSTR441 LILYNDGDSL451 QYIERDGTES461 YLTVSSHPNS471 LMKKITLLKY 481 FRNYMSEHLL491 KAGANITPRL508 PYLRTWFRTR518 SAIILHLSNG528 SVQINFFQDH 538 TKLILCPLMA548 AVTYIDEKRD558 FRTYRLSLLE568 EYGCCKELAS578 RLRYARTMVD 588 KLLSSR
|
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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 .PG0 or .PG02 or .PG03 or :3PG0;style chemicals stick;color identity;select .A:581; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid | Ligand Info | |||||
| Structure Description | The structure of the polo-box domain (PBD) of Plk1 in complex with Z228588490 | PDB:5NN2 | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [13] |
| PDB Sequence |
EFDCHLSDML
378 QQLHSVNASK388 PSERGLVRQE398 EAEDPACIPI408 FWVSKWVDYS418 DKYGLGYQLC 428 DNSVGVLFND438 STRLILYNDG448 DSLQYIERDG458 TESYLTVSSH468 PNSLMKKITL 478 LKYFRNYMSE488 HLLKAGANIT498 RLPYLRTWFR516 TRSAIILHLS526 NGSVQINFFQ 536 DHTKLILCPL546 MAAVTYIDEK556 RDFRTYRLSL566 LEEYGCCKEL576 ASRLRYARTM 586 VDKLLSSR
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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 .Z24 or .Z242 or .Z243 or :3Z24;style chemicals stick;color identity;select .A:415 or .A:417 or .A:421 or .A:478 or .A:481 or .A:482 or .A:485; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-Phenylvaleric acid | Ligand Info | |||||
| Structure Description | Crystal structure of Plk1 Polo-box domain in complex with PL-74 | PDB:4LKM | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [15] |
| PDB Sequence |
DCHLSDMLQQ
380 LHSVNASKPS390 ERGLVRQEEA400 EDPACIPIFW410 VSKWVDYSDK420 YGLGYQLCDN 430 SVGVLFNDST440 RLILYNDGDS450 LQYIERDGTE460 SYLTVSSHPN470 SLMKKITLLK 480 YFRNYMSEHL490 LKAGANITPR500 EGLPYLRTWF515 RTRSAIILHL525 SNGSVQINFF 535 QDHTKLILCP545 LMAAVTYIDE555 KRDFRTYRLS565 LLEEYGCCKE575 LASRLRYART 585 MVDKLLSSRS595 ASNRLK
|
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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 .5PV or .5PV2 or .5PV3 or :35PV;style chemicals stick;color identity;select .A:417 or .A:421 or .A:481; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Butylamine | Ligand Info | |||||
| Structure Description | Crystal structure of Plk1 Polo-box domain in complex with PL-74 | PDB:4LKM | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [15] |
| PDB Sequence |
DCHLSDMLQQ
380 LHSVNASKPS390 ERGLVRQEEA400 EDPACIPIFW410 VSKWVDYSDK420 YGLGYQLCDN 430 SVGVLFNDST440 RLILYNDGDS450 LQYIERDGTE460 SYLTVSSHPN470 SLMKKITLLK 480 YFRNYMSEHL490 LKAGANITPR500 EGLPYLRTWF515 RTRSAIILHL525 SNGSVQINFF 535 QDHTKLILCP545 LMAAVTYIDE555 KRDFRTYRLS565 LLEEYGCCKE575 LASRLRYART 585 MVDKLLSSRS595 ASNRLK
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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 .LYT or .LYT2 or .LYT3 or :3LYT;style chemicals stick;color identity;select .A:415 or .A:417 or .A:481 or .A:482 or .A:485; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 1-(cyclohexylmethyl)-L-Proline | Ligand Info | |||||
| Structure Description | Crystal structure of Plk1 Polo-box domain in complex with PL-49 | PDB:4HAB | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [16] |
| PDB Sequence |
DCHLSDMLQQ
380 LHSVNASKPS390 ERGLVRQEEA400 EDPACIPIFW410 VSKWVDYSDK420 YGLGYQLCDN 430 SVGVLFNDST440 RLILYNDGDS450 LQYIERDGTE460 SYLTVSSHPN470 SLMKKITLLK 480 YFRNYMSEHL490 LKAGANITPR500 EGDELARLPY510 LRTWFRTRSA520 IILHLSNGSV 530 QINFFQDHTK540 LILCPLMAAV550 TYIDEKRDFR560 TYRLSLLEEY570 GCCKELASRL 580 RYARTMVDKL590 LSS
|
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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 .11Q or .11Q2 or .11Q3 or :311Q;style chemicals stick;color identity;select .A:414 or .A:516 or .A:535; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-Cyclohexyl-1-propylsulfonic acid | Ligand Info | |||||
| Structure Description | Crystal structure of Plk1 Polo-box domain in complex with PL-49 | PDB:4HAB | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [16] |
| PDB Sequence |
DCHLSDMLQQ
380 LHSVNASKPS390 ERGLVRQEEA400 EDPACIPIFW410 VSKWVDYSDK420 YGLGYQLCDN 430 SVGVLFNDST440 RLILYNDGDS450 LQYIERDGTE460 SYLTVSSHPN470 SLMKKITLLK 480 YFRNYMSEHL490 LKAGANITPR500 EGDELARLPY510 LRTWFRTRSA520 IILHLSNGSV 530 QINFFQDHTK540 LILCPLMAAV550 TYIDEKRDFR560 TYRLSLLEEY570 GCCKELASRL 580 RYARTMVDKL590 LSS
|
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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 .CXS or .CXS2 or .CXS3 or :3CXS;style chemicals stick;color identity;select .A:435 or .A:436 or .A:437 or .A:438 or .A:439 or .A:512 or .A:513 or .A:514 or .A:515 or .A:516 or .A:589 or .A:593; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Adamantane | Ligand Info | |||||
| Structure Description | Crystal structure of Plk1 Polo-box domain in complex with PL-55 | PDB:4LKL | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [15] |
| PDB Sequence |
CHLSDMLQQL
381 HSVNASKPSE391 RGLVRQEEAE401 DPACIPIFWV411 SKWVDYSDKY421 GLGYQLCDNS 431 VGVLFNDSTR441 LILYNDGDSL451 QYIERDGTES461 YLTVSSHPNS471 LMKKITLLKY 481 FRNYMSEHLL491 KAGANITPLP509 YLRTWFRTRS519 AIILHLSNGS529 VQINFFQDHT 539 KLILCPLMAA549 VTYIDEKRDF559 RTYRLSLLEE569 YGCCKELASR579 LRYARTMVDK 589 LLSS
|
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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 .ADM or .ADM2 or .ADM3 or :3ADM;style chemicals stick;color identity;select .A:518 or .A:535 or .A:536; 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 | BI 6727, a Polo-like kinase inhibitor with improved pharmacokinetic profile and broad antitumor activity. Clin Cancer Res. 2009 May 1;15(9):3094-102. | ||||
| REF 2 | Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors. J Med Chem. 2010 May 13;53(9):3532-51. | ||||
| REF 3 | NMS-P937, a 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivative as potent and selective Polo-like kinase 1 inhibitor. Bioorg Med Chem Lett. 2011 May 15;21(10):2969-74. | ||||
| REF 4 | Selectivity-determining residues in Plk1. Chem Biol Drug Des. 2007 Dec;70(6):540-6. | ||||
| REF 5 | Discovery of TAK-960: an orally available small molecule inhibitor of polo-like kinase 1 (PLK1). Bioorg Med Chem Lett. 2013 Jun 15;23(12):3662-6. | ||||
| REF 6 | Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors. Bioorg Med Chem Lett. 2017 Mar 1;27(5):1311-1315. | ||||
| REF 7 | Structure of the catalytic domain of human polo-like kinase 1. Biochemistry. 2007 May 22;46(20):5960-71. | ||||
| REF 8 | Histidine N(Tau)-cyclized macrocycles as a new genre of polo-like kinase 1 polo-box domain-binding inhibitors. Bioorg Med Chem Lett. 2018 Oct 15;28(19):3202-3205. | ||||
| REF 9 | From crystal packing to molecular recognition: prediction and discovery of a binding site on the surface of polo-like kinase 1. Angew Chem Int Ed Engl. 2011 Apr 18;50(17):4003-6. | ||||
| REF 10 | Discovery of a potent and orally bioavailable benzolactam-derived inhibitor of Polo-like kinase 1 (MLN0905). J Med Chem. 2012 Jan 12;55(1):197-208. | ||||
| REF 11 | 5-(2-amino-pyrimidin-4-yl)-1H-pyrrole and 2-(2-amino-pyrimidin-4-yl)-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one derivatives as new classes of selective and orally available Polo-like kinase 1 inhibitors. Bioorg Med Chem Lett. 2012 Jan 1;22(1):96-101. | ||||
| REF 12 | Design and synthesis of a new orthogonally protected glutamic acid analog and its use in the preparation of high affinity polo-like kinase 1 polo-box domain - binding peptide macrocycles. Org Biomol Chem. 2021 Sep 22;19(36):7843-7854. | ||||
| REF 13 | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation. Sci Rep. 2019 Nov 4;9(1):15930. | ||||
| REF 14 | Improved RAD51 binders through motif shuffling based on the modularity of BRC repeats. Proc Natl Acad Sci U S A. 2021 Nov 16;118(46):e2017708118. | ||||
| REF 15 | Exploring the binding nature of pyrrolidine pocket-dependent interactions in the polo-box domain of polo-like kinase 1. PLoS One. 2013 Nov 6;8(11):e80043. | ||||
| REF 16 | Development of cyclic peptomer inhibitors targeting the polo-box domain of polo-like kinase 1. Bioorg Med Chem. 2013 May 1;21(9):2623-34. | ||||
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