Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T00645 | Target Info | |||
| Target Name | HUMAN protein kinase cAMP-activated catalytic subunit alpha (PRKACA) | ||||
| Synonyms | PKA C-alpha; cAMP-dependent protein kinase catalytic subunit alpha | ||||
| Gene Name | PRKACA | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | (2S,3S)-butane-2,3-diol | Ligand Info | |||
| Canonical SMILES | CC(C(C)O)O | ||||
| InChI | 1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1 | ||||
| InChIKey | OWBTYPJTUOEWEK-IMJSIDKUSA-N | ||||
| PubChem Compound ID | 439888 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3OVV Human cAMP-dependent protein kinase in complex with an inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [1] |
| PDB Sequence |
SVKEFLAKAK
23 EDFLKKWESP33 AQNTAHLDQF43 ERIKTLGTGS53 FGRVMLVKHK63 ETGNHYAMKI 73 LDKQKVVKLK83 QIEHTLNEKR93 ILQAVNFPFL103 VKLEFSFKDN113 SNLYMVMEYV 123 PGGEMFSHLR133 RIGRFSEPHA143 RFYAAQIVLT153 FEYLHSLDLI163 YRDLKPENLL 173 IDQQGYIQVT183 DFGFAKRVKG193 RTWLCGTPEY204 LAPEIILSKG214 YNKAVDWWAL 224 GVLIYEMAAG234 YPPFFADQPI244 QIYEKIVSGK254 VRFPSHFSSD264 LKDLLRNLLQ 274 VDLTKRFGNL284 KNGVNDIKNH294 KWFATTDWIA304 IYQRKVEAPF314 IPKFKGPGDT 324 SNFDDYEEEE334 IRVINEKCGK345 EFSEF
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| PDB ID: 3POO human cAMP-dependent protein kinase in complex with an inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [2] |
| PDB Sequence |
SVKEFLAKAK
23 EDFLKKWESP33 AQNTAHLDQF43 ERIKTLGTGS53 FGRVMLVKHK63 ETGNHYAMKI 73 LDKQKVVKLK83 QIEHTLNEKR93 ILQAVNFPFL103 VKLEFSFKDN113 SNLYMVMEYV 123 PGGEMFSHLR133 RIGRFSEPHA143 RFYAAQIVLT153 FEYLHSLDLI163 YRDLKPENLL 173 IDQQGYIQVT183 DFGFAKRVKG193 RTWLCGTPEY204 LAPEIILSKG214 YNKAVDWWAL 224 GVLIYEMAAG234 YPPFFADQPI244 QIYEKIVSGK254 VRFPSHFSSD264 LKDLLRNLLQ 274 VDLTKRFGNL284 KNGVNDIKNH294 KWFATTDWIA304 IYQRKVEAPF314 IPKFDTSNFD 328 DYEEEEIRVI339 NEKCGKEFSE349 F
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | fragment based drug design on PKA | ||||
| REF 2 | fragment based drug design on PKA | ||||
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