Structure of PDB 3ogj Chain A Binding Site BS01
Receptor Information
>3ogj Chain A (length=128) Species:
9606
(Homo sapiens) [
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SHVTLPFYPKSPQSKDLIKEAILDNDFMKNLELSQIQEIVDCMYPVEYGK
DSCIIKEGDVGSLVYVMEDGKVEVTKEGVKLCTMGPGKVFGELAILYNCT
RTATVKTLVNVKLWAIDRQCFQTIMMRT
Ligand information
Ligand ID
CMP
InChI
InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey
IVOMOUWHDPKRLL-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O)N
ACDLabs 10.04
O=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O
Formula
C10 H12 N5 O6 P
Name
ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE;
CYCLIC AMP;
CAMP
ChEMBL
CHEMBL316966
DrugBank
DB02527
ZINC
ZINC000003873977
PDB chain
3ogj Chain A Residue 250 [
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Receptor-Ligand Complex Structure
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PDB
3ogj
Co-Crystal Structures of PKG Ibeta (92-227) with cGMP and cAMP Reveal the Molecular Details of Cyclic-Nucleotide Binding
Resolution
2.751 Å
Binding residue
(original residue number in PDB)
L172 F181 G182 E183 L184 A185 R192 T193
Binding residue
(residue number reindexed from 1)
L81 F90 G91 E92 L93 A94 R101 T102
Annotation score
2
Binding affinity
Manual survey: Kd=27+-3.6nM (21526164)
Enzymatic activity
Enzyme Commision number
2.7.11.12
: cGMP-dependent protein kinase.
External links
PDB
RCSB:3ogj
,
PDBe:3ogj
,
PDBj:3ogj
PDBsum
3ogj
PubMed
21526164
UniProt
Q13976
|KGP1_HUMAN cGMP-dependent protein kinase 1 (Gene Name=PRKG1)
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