Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T62449 | Target Info | |||
| Target Name | Checkpoint kinase-1 (CHK1) | ||||
| Synonyms | Serine/threonine-protein kinase Chk1; Chk1; Cell cycle checkpoint kinase; CHK1 checkpoint homolog | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | CHEK1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Cysteine Sulfenic Acid | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)O)N)SO | ||||
| InChI | 1S/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | ||||
| InChIKey | FXIRVRPOOYSARH-REOHCLBHSA-N | ||||
| PubChem Compound ID | 165339 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4FTC Crystal Structure of the CHK1 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
AVPFVEDWDL
11 VQTLGGEVQL25 AVNRVTEEAV35 AVKIVDMNIK53 KEICINKMLN63 HENVVKFYGH 73 RREGNIQYLF83 LEYCSGGELF93 DRIEPDIGMP103 EPDAQRFFHQ113 LMAGVVYLHG 123 IGITHRDIKP133 ENLLLDERDN143 LKISDFGLAT153 VFRYNNRERL163 LNKMGTLPYV 174 APELLKRREF184 HAEPVDVWSC194 GIVLTAMLAG204 ELPWDQPSDS214 CQEYSDWKEK 224 KTYLNPWKKI234 DSAPLALLHK244 ILVENPSARI254 TIPDIKKDRW264 YNKPLKKGAK 274 RPRVTS
|
|||||
|
|
||||||
| PDB ID: 4FTQ Crystal Structure of the CHK1 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [2] |
| PDB Sequence |
VPFVEDWDLV
12 QTLGEGGEVQ24 LAVNRVTEEA34 VAVKIVIKKE55 ICINKMLNHE65 NVVKFYGHRR 75 EGNIQYLFLE85 YCSGGELFDR95 IEPDIGMPEP105 DAQRFFHQLM115 AGVVYLHGIG 125 ITHRDIKPEN135 LLLDERDNLK145 ISDFGLATVF155 RYNNRERLLN165 KMGTLPYVAP 176 ELLKRREFHA186 EPVDVWSCGI196 VLTAMLAGEL206 PWDQPSDSCQ216 EYSDWKEKKT 226 YLNPWKKIDS236 APLALLHKIL246 VENPSARITI256 PDIKKDRWYN266 KPLK |
|||||
|
|
||||||
| PDB ID: 4FTN Crystal Structure of the CHK1 | ||||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [3] |
| PDB Sequence |
VPFVEDWDLV
12 QTLGEVQLAV27 NRVTEEAVAV37 KIVNIKKEIC57 INKMLNHENV67 VKFYGHRREG 77 NIQYLFLEYC87 SGGELFDRIE97 PDIGMPEPDA107 QRFFHQLMAG117 VVYLHGIGIT 127 HRDIKPENLL137 LDERDNLKIS147 DFGLATVFRY157 NNRERLLNKM167 GTLPYVAPEL 178 LKRREFHAEP188 VDVWSCGIVL198 TAMLAGELPW208 DQPSDSCQEY218 SDWKEKKTYL 228 NPWKKIDSAP238 LALLHKILVE248 NPSARITIPD258 IKKDRWYNKP268 LKK |
|||||
|
|
||||||
| PDB ID: 4GH2 Crystal Structure of the CHK1 | ||||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [4] |
| PDB Sequence |
VPFVEDWDLV
12 QTLGEGAYGE22 VQLAVNRVTE32 EAVAVKIVNI52 KKEICINKML62 NHENVVKFYG 72 HRREGNIQYL82 FLEYCSGGEL92 FDRIEPDIGM102 PEPDAQRFFH112 QLMAGVVYLH 122 GIGITHRDIK132 PENLLLDERD142 NLKISDFGLA152 TVFRYNNRER162 LLNKMGTLPY 173 VAPELLKRRE183 FHAEPVDVWS193 CGIVLTAMLA203 GELPWDQPSD213 SQEYSDWKEK 224 KTYLNPWKKI234 DSAPLALLHK244 ILVENPSARI254 TIPDIKKDRW264 YNKPLKKGAK 274 RPRVTS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:129 or .A:151 or .A:166 or .A:167 or .A:169 or .A:170 or .A:174 or .A:178 or .A:208 or .A:209 or .A:210 or .A:212 or .A:213 or .A:214 or .A:216 or .A:217 or .A:218 or .A:219; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4FSW Crystal Structure of the CHK1 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [5] |
| PDB Sequence |
VPFVEDWDLV
12 QTLGEGGEVQ24 LAVNRVTEEA34 VAVKIVNIKK54 EICINKMLNH64 ENVVKFYGHR 74 REGNIQYLFL84 EYCSGGELFD94 RIEPDIGMPE104 PDAQRFFHQL114 MAGVVYLHGI 124 GITHRDIKPE134 NLLLDERDNL144 KISDFGLATV154 FRYNNRERLL164 NKMGTLPYVA 175 PELLKRREFH185 AEPVDVWSCG195 IVLTAMLAGE205 LPWDQPSDSC215 QEYSDWKEKK 225 TYLNPWKKID235 SAPLALLHKI245 LVENPSARIT255 IPDIKKDRWY265 NKPLKKGAKR 275 PRVTS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:129 or .A:151 or .A:166 or .A:167 or .A:169 or .A:170 or .A:174 or .A:178; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4FSY Crystal Structure of the CHK1 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [6] |
| PDB Sequence |
VPFVEDWDLV
12 QTLGEGGEVQ24 LAVNRVTEEA34 VAVKIVPENI52 KKEIINKMLN63 HENVVKFYGH 73 RREGNIQYLF83 LEYCSGGELF93 DRIEPDIGMP103 EPDAQRFFHQ113 LMAGVVYLHG 123 IGITHRDIKP133 ENLLLDERDN143 LKISDFGLAT153 VFRYNNRERL163 LNKMCGTLPY 173 VAPELLKRRE183 FHAEPVDVWS193 CGIVLTAMLA203 GELPWDQPSD213 SCQEYSDWKE 223 KKTYLNPWKK233 IDSAPLALLH243 KILVENPSAR253 ITIPDIKKDR263 WYNKPLKKGA 273 KRPRVTS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:53 or .A:54 or .A:55 or .A:56 or .A:58 or .A:59 or .A:60 or .A:61; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4FSZ Crystal Structure of the CHK1 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [7] |
| PDB Sequence |
VPFVEDWDLV
12 QTLGEGGEVQ24 LAVNRVTEEA34 VAVKIVDMKE50 NIKKEIINKM61 LNHENVVKFY 71 GHRREGNIQY81 LFLEYCSGGE91 LFDRIEPDIG101 MPEPDAQRFF111 HQLMAGVVYL 121 HGIGITHRDI131 KPENLLLDER141 DNLKISDFGL151 ATVFRYNNRE161 RLLNKMGTLP 172 YVAPELLKRR182 EFHAEPVDVW192 SCGIVLTAML202 AGELPWDQPS212 DSCQEYSDWK 222 EKKTYLNPWK232 KIDSAPLALL242 HKILVENPSA252 RITIPDIKKD262 RWYNKPLKKG 272 AKRPRVTS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:53 or .A:54 or .A:55 or .A:56 or .A:58 or .A:59 or .A:60 or .A:61 or .A:129 or .A:151 or .A:166 or .A:167 or .A:169 or .A:170 or .A:174 or .A:178; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4FTA Crystal Structure of the CHK1 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [8] |
| PDB Sequence |
VPFVEDWDLV
12 QTLGEGEVQL25 AVNRVTEEAV35 AVKIVNIKKE55 ICINKMLNHE65 NVVKFYGHRR 75 EGNIQYLFLE85 YCSGGELFDR95 IEPDIGMPEP105 DAQRFFHQLM115 AGVVYLHGIG 125 ITHRDIKPEN135 LLLDERDNLK145 ISDFGLATVF155 RYNNRERLLN165 KMGTLPYVAP 176 ELLKRREFHA186 EPVDVWSCGI196 VLTAMLAGEL206 PWDQPSDSCQ216 EYSDWKEKKT 226 YLNPWKKIDS236 APLALLHKIL246 VENPSARITI256 PDIKKDRWYN266 KPLKKGAKRP 276 RVTS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:129 or .A:151 or .A:166 or .A:167 or .A:169 or .A:170 or .A:174 or .A:178; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4FT3 Crystal Structure of the CHK1 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [9] |
| PDB Sequence |
AVPFVEDWDL
11 VQTLGEGAYG21 EVQLAVNRVT31 EEAVAVKIVD41 MENIKKEICI58 NKMLNHENVV 68 KFYGHRREGN78 IQYLFLEYCS88 GGELFDRIEP98 DIGMPEPDAQ108 RFFHQLMAGV 118 VYLHGIGITH128 RDIKPENLLL138 DERDNLKISD148 FGLATVFRYN158 NRERLLNKMG 169 TLPYVAPELL179 KRREFHAEPV189 DVWSCGIVLT199 AMLAGELPWD209 QPSDSQEYSD 220 WKEKKTYLNP230 WKKIDSAPLA240 LLHKILVENP250 SARITIPDIK260 KDRWYNKPLK 270 KGAKRPRVTS280
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:129 or .A:151 or .A:166 or .A:167 or .A:169 or .A:170 or .A:174 or .A:178 or .A:208 or .A:209 or .A:210 or .A:212 or .A:213 or .A:214 or .A:216 or .A:217 or .A:218 or .A:219; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4FST Crystal Structure of the CHK1 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [10] |
| PDB Sequence |
VPFVEDWDLV
12 QTLGGEVQLA26 VNRVTEEAVA36 VKIVNIKKEI56 CINKMLNHEN66 VVKFYGHRRE 76 GNIQYLFLEY86 CSGGELFDRI96 EPDIGMPEPD106 AQRFFHQLMA116 GVVYLHGIGI 126 THRDIKPENL136 LLDERDNLKI146 SDFGLATVFR156 YNNRERLLNK166 MGTLPYVAPE 177 LLKRREFHAE187 PVDVWSCGIV197 LTAMLAGELP207 WDQPSDSCQE217 YSDWKEKKTY 227 LNPWKKIDSA237 PLALLHKILV247 ENPSARITIP257 DIKKDRWYNK267 PLK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:129 or .A:151 or .A:166 or .A:167 or .A:169 or .A:170 or .A:174 or .A:178; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal Structure of the CHK1 | ||||
| REF 2 | Crystal Structure of the CHK1 | ||||
| REF 3 | Crystal Structure of the CHK1 | ||||
| REF 4 | Crystal Structure of the CHK1 | ||||
| REF 5 | Crystal Structure of the CHK1 | ||||
| REF 6 | Crystal Structure of the CHK1 | ||||
| REF 7 | Crystal Structure of the CHK1 | ||||
| REF 8 | Crystal Structure of the CHK1 | ||||
| REF 9 | Crystal Structure of the CHK1 | ||||
| REF 10 | Crystal Structure of the CHK1 | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.