2025-12-27_00000094
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ligand
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9RE6
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F102;
X-ray diffraction 1.45Å
Protein #1
353 residues (96% resolved)
Raw Sequence ...
GHMGNAAAAKKGSEQESVKEFLAKAKEEFLKKWESPSQNTAQLDHFDRIKTLGTGSFGRVMLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRF(SEP)EPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTW(TPO)LCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRV(SEP)INEKCGKEFTEF
Canonical Sequence ...
GHMGNAAAAKKGSEQESVKEFLAKAKEEFLKKWESPSQNTAQLDHFDRIKTLGTGSFGRVMLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFTEF
Non polymer #2
A1JEX
InChI=1S/C16H14N4O2/c21-16(12-7-17-10-18-8-12)20-6-5-11(9-20)15-19-13-3-1-2-4-14(13)22-15/h1-4,7-8,10-11H,5-6,9H2/t11-/m1/s1
InChI=1S/C16H14N4O2/c21-16(12-7-17-10-18-8-12)20-6-5-11(9-20)15-19-13-3-1-2-4-14(13)22-15/h1-4,7-8,10-11H,5-6,9H2/t11-/m1/s1
SMILES: c1ccc2c(c1)nc(o2)[C@H]3CCN(C3)C(=O)c4cncnc4
c1ccc2c(c1)nc(o2)[C@H]3CCN(C3)C(=O)c4cncnc4
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
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Model
Reference
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