2025-12-27_00000091
|
ligand
|
9RE3
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F070;
X-ray diffraction 1.57Å
Protein #1
353 residues (96% resolved)
Raw Sequence ...
GHMGNAAAAKKGSEQESVKEFLAKAKEEFLKKWESPSQNTAQLDHFDRIKTLGTGSFGRVMLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRF(SEP)EPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTW(TPO)LCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRV(SEP)INEKCGKEFTEF
Canonical Sequence ...
GHMGNAAAAKKGSEQESVKEFLAKAKEEFLKKWESPSQNTAQLDHFDRIKTLGTGSFGRVMLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFTEF
Non polymer #2
A1JE0
InChI=1S/C13H15N3O2/c1-17-11-4-2-9(3-5-11)12-15-16-13(18-12)10-6-7-14-8-10/h2-5,10,14H,6-8H2,1H3/t10-/m0/s1
InChI=1S/C13H15N3O2/c1-17-11-4-2-9(3-5-11)12-15-16-13(18-12)10-6-7-14-8-10/h2-5,10,14H,6-8H2,1H3/t10-/m0/s1
SMILES: COc1ccc(cc1)c2nnc(o2)[C@H]3CCNC3
COc1ccc(cc1)c2nnc(o2)[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
Tube
Model
Reference
100%