2025-12-27_00000089
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ligand
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9RE1
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F055;
X-ray diffraction 1.41Å
Protein #1
353 residues (96% resolved)
Raw Sequence ...
GHMGNAAAAKKGSEQESVKEFLAKAKEEFLKKWESPSQNTAQLDHFDRIKTLGTGSFGRVMLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRF(SEP)EPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTW(TPO)LCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRV(SEP)INEKCGKEFTEF
Canonical Sequence ...
GHMGNAAAAKKGSEQESVKEFLAKAKEEFLKKWESPSQNTAQLDHFDRIKTLGTGSFGRVMLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFTEF
Non polymer #2
A1JE2
InChI=1S/C12H21N3O4/c1-7(16)14-2-4-15(5-3-14)10-11(17)9(13)8-6-18-12(10)19-8/h8-12,17H,2-6,13H2,1H3/t8-,9-,10-,11?,12-/m1/s1
InChI=1S/C12H21N3O4/c1-7(16)14-2-4-15(5-3-14)10-11(17)9(13)8-6-18-12(10)19-8/h8-12,17H,2-6,13H2,1H3/t8-,9-,10-,11?,12-/m1/s1
SMILES: CC(=O)N1CCN(CC1)[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O
CC(=O)N1CCN(CC1)[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)N)O
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
Non polymer #4
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Biounit #1
monomer
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Model
Reference
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