Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T65889 | Target Info | |||
| Target Name | Pyruvate kinase M2 (PKM) | ||||
| Synonyms | p58; Tumor M2-PK; Thyroid hormone-binding protein 1; THBP1; Pyruvate kinase muscle isozyme; Pyruvate kinase isozymes M1/M2; Pyruvate kinase PKM; Pyruvate kinase 2/3; PKM2; PK3; PK2; Opa-interacting protein 3; OIP3; OIP-3; Cytosolic thyroid hormone-binding protein; CTHBP | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PKM | ||||
| 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: 6GG4 Crystal structure of M2 PYK in complex with Phenyalanine. | ||||||
| Method | X-ray diffraction | Resolution | 2.46 Å | Mutation | No | [1] |
| PDB Sequence |
ADTFLEHMCR
32 LDIDSPPITA42 RNTGIICTIG52 PASRSVETLK62 EMIKSGMNVA72 RLNFSHGTHE 82 YHAETIKNVR92 TATESFASDP102 ILYRPVAVAL112 DTKGPEIRTG122 LIKGSGTAEV 132 ELKKGATLKI142 TLDNAYMEKC152 DENILWLDYK162 NICKVVEVGS172 KIYVDDGLIS 182 LQVKQKGADF192 LVTEVENGGS202 LGSKKGVNLP212 GAAVDLPAVS222 EKDIQDLKFG 232 VEQDVDMVFA242 SFIRKASDVH252 EVRKVLGEKG262 KNIKIISKIE272 NHEGVRRFDE 282 ILEASDGIMV292 ARGDLGIEIP302 AEKVFLAQKM312 MIGRCNRAGK322 PVICATQMLE 332 SMIKKPRPTR342 AEGSDVANAV352 LDGADCIMLS362 GETAKGDYPL372 EAVRMQHLIA 382 REAEAAIYHL392 QLFEELRRLA402 PITSDPTEAT412 AVGAVEASFK422 CCSGAIIVLT 432 KSGRSAHQVA442 RYRPRAPIIA452 VTRNPQTARQ462 AHLYRGIFPV472 LKDPVQEAWA 483 EDVDLRVNFA493 MNVGKARGFF503 KKGDVVIVLT513 GWRPGSGFTN523 TMRVVPVP |
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| PDB ID: 6GG6 Crystal structure of M2 PYK in complex with Serine. | ||||||
| Method | X-ray diffraction | Resolution | 2.96 Å | Mutation | No | [1] |
| PDB Sequence |
MADTFLEHMC
31 RLDIDSPPIT41 ARNTGIICTI51 GPASRSVETL61 KEMIKSGMNV71 ARLNFSHGTH 81 EYHAETIKNV91 RTATESFASD101 PILYRPVAVA111 LDTKGPEIRT121 GLIKGSGTAE 131 VELKKGATLK141 ITLDNAYMEK151 CDENILWLDY161 KNICKVVEVG171 SKIYVDDGLI 181 SLQVKQKGAD191 FLVTEVENGG201 SLGSKKGVNL211 PGAAVDLPAV221 SEKDIQDLKF 231 GVEQDVDMVF241 ASFIRKASDV251 HEVRKVLGEK261 GKNIKIISKI271 ENHEGVRRFD 281 EILEASDGIM291 VARGDLGIEI301 PAEKVFLAQK311 MMIGRCNRAG321 KPVICATQML 331 ESMIKKPRPT341 RAEGSDVANA351 VLDGADCIML361 SGETAKGDYP371 LEAVRMQHLI 381 AREAEAAIYH391 LQLFEELRRL401 APITSDPTEA411 TAVGAVEASF421 KCCSGAIIVL 431 TKSGRSAHQV441 ARYRPRAPII451 AVTRNPQTAR461 QAHLYRGIFP471 VLKDPVQEAW 482 AEDVDLRVNF492 AMNVGKARGF502 FKKGDVVIVL512 TGWRPGSGFT522 NTMRVVPVP |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor. Biochem J. 2018 May 31;475(10):1821-1837. | ||||
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