Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T70176 | Target Info | |||
| Target Name | Cyclin-dependent kinase 2 (CDK2) | ||||
| Synonyms | Sin3 associated polypeptide; SIN3-associated protein; P33 protein kinase; Cell division protein kinase 2; CDKN2 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | CDK2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 2-(4,6-Diamino-1,3,5-Triazin-2-Yl)-4-Methoxyphenol | Ligand Info | |||
| Canonical SMILES | COC1=CC(=C(C=C1)O)C2=NC(=NC(=N2)N)N | ||||
| InChI | 1S/C10H11N5O2/c1-17-5-2-3-7(16)6(4-5)8-13-9(11)15-10(12)14-8/h2-4,16H,1H3,(H4,11,12,13,14,15) | ||||
| InChIKey | OQGZVJIFCDXDFS-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 135566548 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3PXZ CDK2 ternary complex with JWS648 and ANS | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [1] |
| PDB Sequence |
SPEFMENFQK
6 VEKIGEGTYG16 VVYKARNKLT26 GEVVALKKIR36 LDTETEGVPS46 TAIREISLLK 56 ELNHPNIVKL66 LDVIHTENKL76 YLVFEFLHQD86 LKKFMDASAL96 TGIPLPLIKS 106 YLFQLLQGLA116 FCHSHRVLHR126 DLKPQNLLIN136 TEGAIKLADF146 GLARAFGVPV 156 RTYTHEVVTL166 WYRAPEILLG176 CKYYSTAVDI186 WSLGCIFAEM196 VTRRALFPGD 206 SEIDQLFRIF216 RTLGTPDEVV226 WPGVTSMPDY236 KPSFPKWARQ246 DFSKVVPPLD 256 EDGRSLLSQM266 LHYDPNKRIS276 AKAALAHPFF286 QDVTKPVPHL296 RL |
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| PDB ID: 3PXY CDK2 in complex with inhibitor JWS648 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
MENFQKVEKI
10 GEGTYGVVYK20 ARNKLTGEVV30 ALKKIRTEGV44 PSTAIREISL54 LKELNHPNIV 64 KLLDVIHTEN74 KLYLVFEFLH84 QDLKKFMDAS94 ALTGIPLPLI104 KSYLFQLLQG 114 LAFCHSHRVL124 HRDLKPQNLL134 INTEGAIKLA144 DFGLARAFGV154 PVRTYTHEVV 164 TLWYRAPEIL174 LGCKYYSTAV184 DIWSLGCIFA194 EMVTRRALFP204 GDSEIDQLFR 214 IFRTLGTPDE224 VVWPGVTSMP234 DYKPSFPKWA244 RQDFSKVVPP254 LDEDGRSLLS 264 QMLHYDPNKR274 ISAKAALAHP284 FFQDVTKPVP294 HLRL
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of a potential allosteric ligand binding site in CDK2. ACS Chem Biol. 2011 May 20;6(5):492-501. | ||||
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