Structure of PDB 4mx3 Chain B Binding Site BS01

Receptor Information
>4mx3 Chain B (length=269) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AASYVRKVIPKDYKTMAALAKAIEKNVLFSHLDDNERSDIFDAMFPVSFI
AGETVIQQGDEGDNFYVIDQGEMDVYVNNEWATSVGEGGSFGELALIYGT
PRAATVKAKTNVKLWGIDRDSYRRILMGSTLRKRKMYEEFLSKVSILESL
DKWERLTVADALEPVQFEDGQKIVVQGEPGDEFFIILEGSAAVLQRRSEN
EEFVEVGRLGPSDYFGEIALLMNRPRAATVVARGPLKCVKLDRPRFERVL
GPCSDILKRNIQQYNSFVS
Ligand information
Ligand IDCMP
InChIInChI=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
InChIKeyIVOMOUWHDPKRLL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O)N
ACDLabs 10.04O=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O
FormulaC10 H12 N5 O6 P
NameADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE;
CYCLIC AMP;
CAMP
ChEMBLCHEMBL316966
DrugBankDB02527
ZINCZINC000003873977
PDB chain4mx3 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4mx3 PKA RI alpha Homodimer Structure Reveals an Intermolecular Interface with Implications for Cooperative cAMP Binding and Carney Complex Disease.
Resolution3.88 Å
Binding residue
(original residue number in PDB)		V182 G199 E200 L201 A202 R209 A210 A211 W260
Binding residue
(residue number reindexed from 1)		V75 G92 E93 L94 A95 R102 A103 A104 W153
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004862 cAMP-dependent protein kinase inhibitor activity
GO:0005515 protein binding
GO:0008603 cAMP-dependent protein kinase regulator activity
GO:0019904 protein domain specific binding
GO:0030552 cAMP binding
GO:0031625 ubiquitin protein ligase binding
GO:0034236 protein kinase A catalytic subunit binding
GO:0042802 identical protein binding
Biological Process
GO:0001707 mesoderm formation
GO:0001932 regulation of protein phosphorylation
GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0007507 heart development
GO:0010629 negative regulation of gene expression
GO:0032024 positive regulation of insulin secretion
GO:0045214 sarcomere organization
GO:0046007 negative regulation of activated T cell proliferation
GO:0060038 cardiac muscle cell proliferation
GO:0071377 cellular response to glucagon stimulus
GO:0141162 negative regulation of cAMP/PKA signal transduction
Cellular Component
GO:0001772 immunological synapse
GO:0005737 cytoplasm
GO:0005771 multivesicular body
GO:0005813 centrosome
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0005930 axoneme
GO:0005952 cAMP-dependent protein kinase complex
GO:0031588 nucleotide-activated protein kinase complex
GO:0031594 neuromuscular junction
GO:0032991 protein-containing complex
GO:0044853 plasma membrane raft
GO:0045202 synapse
GO:0098978 glutamatergic synapse
GO:0120212 sperm head-tail coupling apparatus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4mx3, PDBe:4mx3, PDBj:4mx3
PDBsum4mx3
PubMed24316401
UniProtP00514|KAP0_BOVIN cAMP-dependent protein kinase type I-alpha regulatory subunit (Gene Name=PRKAR1A)

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