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 | D-arginine | Ligand Info | |||
| Canonical SMILES | C(CC(C(=O)O)N)CN=C(N)N | ||||
| InChI | 1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1 | ||||
| InChIKey | ODKSFYDXXFIFQN-SCSAIBSYSA-N | ||||
| PubChem Compound ID | 71070 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5IZJ Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1411 | ||||||
| Method | X-ray diffraction | Resolution | 1.85 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 IPKFNFDDYE 331 EEEIRVINEK342 CGKEFSEF
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| PDB ID: 5J5X Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1416 | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
GSEQESVKEF
18 LAKAKEDFLK28 KWESPAQNTA38 HLDQFERIKT48 LGTGSFGRVM58 LVKHKETGNH 68 YAMKILDKQK78 VVKLKQIEHT88 LNEKRILQAV98 NFPFLVKLEF108 SFKDNSNLYM 118 VMEYVPGGEM128 FSHLRRIGRF138 SEPHARFYAA148 QIVLTFEYLH158 SLDLIYRDLK 168 PENLLIDQQG178 YIQVTDFGFA188 KRVKGRTWLC199 GTPEYLAPEI209 ILSKGYNKAV 219 DWWALGVLIY229 EMAAGYPPFF239 ADQPIQIYEK249 IVSGKVRFPS259 HFSSDLKDLL 269 RNLLQVDLTK279 RFGNLKNGVN289 DIKNHKWFAT299 TDWIAIYQRK309 VEAPFIPKFK 319 GPGDTSNFDD329 YEEEEIRVIN340 EKCGKEFSEF350
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions. Bioconjug Chem. 2016 Aug 17;27(8):1900-10. | ||||
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