2025-12-27_00000085
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ligand
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9RDX
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F012;
X-ray diffraction 1.50Å
Protein #1
353 residues (96% resolved)
Raw Sequence ...
GHMGNAAAAKKGSEQESVKEFLAKAKEEFLKKWESPSQNTAQLDHFDRIKTLGTGSFGRVMLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRF(SEP)EPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTW(TPO)LCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRV(SEP)INEKCGKEFTEF
Canonical Sequence ...
GHMGNAAAAKKGSEQESVKEFLAKAKEEFLKKWESPSQNTAQLDHFDRIKTLGTGSFGRVMLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFTEF
Non polymer #2
A1JE5
InChI=1S/C12H14N6O/c13-8-5-10(16-6-9(8)14)12-17-11(18-19-12)7-1-3-15-4-2-7/h1-4,10,16H,5-6,13-14H2/t10-/m0/s1
InChI=1S/C12H14N6O/c13-8-5-10(16-6-9(8)14)12-17-11(18-19-12)7-1-3-15-4-2-7/h1-4,10,16H,5-6,13-14H2/t10-/m0/s1
SMILES: c1cnccc1c2nc(on2)[C@@H]3CC(=C(CN3)N)N
c1cnccc1c2nc(on2)[C@@H]3CC(=C(CN3)N)N
Non polymer #3
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Biounit #1
monomer
Download coordinates
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Model
Reference
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