2025-12-27_00000096
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ligand
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9RE8
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F138;
X-ray diffraction 1.50Å
Protein #1
353 residues (95% resolved)
Raw Sequence ...
GHMGNAAAAKKGSEQESVKEFLAKAKEEFLKKWESPSQNTAQLDHFDRIKTLGTGSFGRVMLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRF(SEP)EPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTW(TPO)LCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRV(SEP)INEKCGKEFTEF
Canonical Sequence ...
GHMGNAAAAKKGSEQESVKEFLAKAKEEFLKKWESPSQNTAQLDHFDRIKTLGTGSFGRVMLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFTEF
Non polymer #2
A1JEQ
InChI=1S/C13H15N3O2/c1-18-13(17)8-2-3-10-11(6-8)16-12(15-10)9-4-5-14-7-9/h2-3,6,9,14H,4-5,7H2,1H3,(H,15,16)/t9-/m0/s1
InChI=1S/C13H15N3O2/c1-18-13(17)8-2-3-10-11(6-8)16-12(15-10)9-4-5-14-7-9/h2-3,6,9,14H,4-5,7H2,1H3,(H,15,16)/t9-/m0/s1
SMILES: COC(=O)c1ccc2c(c1)nc([nH]2)[C@H]3CCNC3
COC(=O)c1ccc2c(c1)nc([nH]2)[C@H]3CCNC3
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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