Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T78543 | Target Info | |||
| Target Name | Protein kinase G1 (PRKG1) | ||||
| Synonyms | cGMP-dependent protein kinase I; cGMP-dependent protein kinase 1; cGKI; cGK1; cGK 1; PRKGR1B; PRKGR1A; PRKG1B | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | PRKG1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphonothreonine | Ligand Info | |||
| Canonical SMILES | CC(C(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 | ||||
| InChIKey | USRGIUJOYOXOQJ-GBXIJSLDSA-N | ||||
| PubChem Compound ID | 3246323 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7LV3 Crystal structure of human protein kinase G (PKG) R-C complex in inhibited state | ||||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | No | [1] |
| PDB Sequence |
RTKRQAISAE
82 PTAFDIQDLS92 HVTLPFYPKS102 PQSKDLIKEA112 ILDNDFMKNL122 ELSQIQEIVD 132 CMYPVEYGKD142 SCIIKEGDVG152 SLVYVMEDGK162 VEVTKEGVKL172 CTMGPGKVFG 182 ELAILYNCTR192 TATVKTLVNV202 KLWAIDRQCF212 QTIMMRTGLI222 KHTEYMEFLK 232 SVPTFQSLPE242 EILSKLADVL252 EETHYENGEY262 IIRQGARGDT272 FFIISKGTVN 282 VTREDSPSED292 PVFLRTLGKG302 DWFGEKALQG312 EDVRTANVIA322 AEAVTCLVID 332 RDSFKHLIAE355 AKAKYEAEAA365 FFANLKLSDF375 NIIDTLGVGG385 FGRVELVQLK 395 SEESKTFAMK405 ILKKRHIVDT415 RQQEHIRSEK425 QIMQGAHSDF435 IVRLYRTFKD 445 SKYLYMLMEA455 CLGGELWTIL465 RDRGSFEDST475 TRFYTACVVE485 AFAYLHSKGI 495 IYRDLKPENL505 ILDHRGYAKL515 VDFGFAKKIG525 FGKKTWFCGT536 PEYVAPEIIL 546 NKGHDISADY556 WSLGILMYEL566 LTGSPPFSGP576 DPMKTYNIIL586 RGIDMIEFPK 596 KIAKNAANLI606 KKLCRDNPSE616 RLGNLKNGVK626 DIQKHKWFEG636 FNWEGLRKGT 646 LTPPIIPSVA656 SPTDTSNFDS666 FPEDNDEPPP676 DDNSGWDIDF686 |
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| PDB ID: 6BG2 Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain in AMP-PNP bound state | ||||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [2] |
| PDB Sequence |
EDAEAKAKYE
346 AEAAFFANLK356 LSDFNIIDTL366 GVGGFGRVEL376 VQLKSEESKT386 FAMKILKKRH 396 IVDTRQQEHI406 RSEKQIMQGA416 HSDFIVRLYR426 TFKDSKYLYM436 LMEACLGGEL 446 WTILRDRGSF456 EDSTTRFYTA466 CVVEAFAYLH476 SKGIIYRDLK486 PENLILDHRG 496 YAKLVDFGFA506 KKIGFGKKTW516 FCGTPEYVAP527 EIILNKGHDI537 SADYWSLGIL 547 MYELLTGSPP557 FSGPDPMKTY567 NIILRGIDMI577 EFPKKIAKNA587 ANLIKKLCRD 597 NPSERLGNLK607 NGVKDIQKHK617 WFEGFNWEGL627 RKGTLTPPII637 PSVASPTDTS 647 NFDSFPEDND657 EPPPDDNSGW667 DIDF
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| PDB ID: 6C0T Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain bound with N46 | ||||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [3] |
| PDB Sequence |
EDAEAKAKYE
346 AEAAFFANLK356 LSDFNIIDTL366 GVGGFGRVEL376 VQLKSEESKT386 FAMKILKKRH 396 IVDTRQQEHI406 RSEKQIMQGA416 HSDFIVRLYR426 TFKDSKYLYM436 LMEACLGGEL 446 WTILRDRGSF456 EDSTTRFYTA466 CVVEAFAYLH476 SKGIIYRDLK486 PENLILDHRG 496 YAKLVDFGFA506 KKIGFGKKTW516 FCGTPEYVAP527 EIILNKGHDI537 SADYWSLGIL 547 MYELLTGSPP557 FSGPDPMKTY567 NIILRGIDMI577 EFPKKIAKNA587 ANLIKKLCRD 597 NPSERLGNLK607 NGVKDIQKHK617 WFEGFNWEGL627 RKGTLTPPII637 PSVASPTDTS 647 NFDSFPEDND657 EPPPDDNSGW667 DIDF
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | An auto-inhibited state of protein kinase G and implications for selective activation. Elife. 2022 Aug 5;11:e79530. | ||||
| REF 2 | Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain | ||||
| REF 3 | Structural basis for selective inhibition of human PKG IAlpha by the balanol-like compound N46. J Biol Chem. 2018 Jul 13;293(28):10985-10992. | ||||
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