2026-10-24_00000264
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ligand
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9TEC
cAMP-dependent Protein Kinase A from cricetulus griseus in complex with fragment like molecule 4-{3-[(1H-1,2,4-Triazol-1-yl)methyl]phenyl}-1H-pyrrolo[2,3-b]pyridine;
X-ray diffraction 1.38Å
Protein #1
339 residues (100% resolved)
Raw Sequence ...
QESVKEFLAKAKEEFLKKWESPSQNTAQLDHFDRIKTLGTGSFGRVMLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRF(SEP)EPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTW(TPO)LCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRV(SEP)INEKCGKEFTEF
Canonical Sequence ...
QESVKEFLAKAKEEFLKKWESPSQNTAQLDHFDRIKTLGTGSFGRVMLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFTEF
Non polymer #2
A1JVM
InChI=1S/C16H13N5/c1-2-12(9-21-11-17-10-20-21)8-13(3-1)14-4-6-18-16-15(14)5-7-19-16/h1-8,10-11H,9H2,(H,18,19)
InChI=1S/C16H13N5/c1-2-12(9-21-11-17-10-20-21)8-13(3-1)14-4-6-18-16-15(14)5-7-19-16/h1-8,10-11H,9H2,(H,18,19)
SMILES: c1cc(cc(c1)c2ccnc3c2cc[nH]3)Cn4cncn4
c1cc(cc(c1)c2ccnc3c2cc[nH]3)Cn4cncn4
Non polymer #3
MPD
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
SMILES: C[C@@H](CC(C)(C)O)O
C[C@@H](CC(C)(C)O)O
Biounit #1
monomer
Download coordinates
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Model
Reference
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