Structure of PDB 7axv Chain A Binding Site BS02

Receptor Information
>7axv Chain A (length=346) Species: 10029 (Cricetulus griseus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GHMGNAAAAKKGSEQESVKEFLAKAKEEFLKKWESPTAQLDHFDRIKTLG
TFGRVMLVKHKTGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFL
VKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLT
FEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPE
YLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSG
KVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWI
AIYQRKVEAPFIPKFKGPGDTSNFDDYEEEERVSINEKCGKEFTEF
Ligand information
Ligand IDS95
InChIInChI=1S/C9H7NO3S/c11-14(12,13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H,(H,11,12,13)
InChIKeyYFMJTLUPSMCTOQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2cnccc2c(c1)S(=O)(=O)O
CACTVS 3.385O[S](=O)(=O)c1cccc2cnccc12
FormulaC9 H7 N O3 S
Nameisoquinoline-5-sulfonic acid
ChEMBL
DrugBank
ZINCZINC000001681255
PDB chain7axv Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7axv Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
Resolution1.79 Å
Binding residue
(original residue number in PDB)		K83 I85 E86
Binding residue
(residue number reindexed from 1)		K80 I82 E83
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.11: cAMP-dependent protein kinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0004679 AMP-activated protein kinase activity
GO:0004691 cAMP-dependent protein kinase activity
GO:0004712 protein serine/threonine/tyrosine kinase activity
GO:0005524 ATP binding
GO:0019901 protein kinase binding
GO:0019904 protein domain specific binding
GO:0030145 manganese ion binding
GO:0031625 ubiquitin protein ligase binding
GO:0034237 protein kinase A regulatory subunit binding
GO:0106310 protein serine kinase activity
Biological Process
GO:0001707 mesoderm formation
GO:0001843 neural tube closure
GO:0006397 mRNA processing
GO:0006468 protein phosphorylation
GO:0006611 protein export from nucleus
GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0007193 adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway
GO:0010737 protein kinase A signaling
GO:0016310 phosphorylation
GO:0018105 peptidyl-serine phosphorylation
GO:0032024 positive regulation of insulin secretion
GO:0034605 cellular response to heat
GO:0045542 positive regulation of cholesterol biosynthetic process
GO:0045667 regulation of osteoblast differentiation
GO:0045722 positive regulation of gluconeogenesis
GO:0045879 negative regulation of smoothened signaling pathway
GO:0046827 positive regulation of protein export from nucleus
GO:0048240 sperm capacitation
GO:0050804 modulation of chemical synaptic transmission
GO:0051726 regulation of cell cycle
GO:0061136 regulation of proteasomal protein catabolic process
GO:0070417 cellular response to cold
GO:0070613 regulation of protein processing
GO:0071333 cellular response to glucose stimulus
GO:0071374 cellular response to parathyroid hormone stimulus
GO:0071377 cellular response to glucagon stimulus
GO:0099170 postsynaptic modulation of chemical synaptic transmission
GO:1904262 negative regulation of TORC1 signaling
GO:1904539 negative regulation of glycolytic process through fructose-6-phosphate
GO:1990044 protein localization to lipid droplet
GO:2000810 regulation of bicellular tight junction assembly
Cellular Component
GO:0001669 acrosomal vesicle
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005813 centrosome
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0005930 axoneme
GO:0005952 cAMP-dependent protein kinase complex
GO:0016607 nuclear speck
GO:0031594 neuromuscular junction
GO:0036126 sperm flagellum
GO:0044853 plasma membrane raft
GO:0048471 perinuclear region of cytoplasm
GO:0097546 ciliary base
GO:0098794 postsynapse
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7axv, PDBe:7axv, PDBj:7axv
PDBsum7axv
PubMed
UniProtP25321|KAPCA_CRIGR cAMP-dependent protein kinase catalytic subunit alpha (Gene Name=PRKACA)

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