Structure of PDB 7g88 Chain A Binding Site BS01

Receptor Information
>7g88 Chain A (length=179) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQ
VELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPE
VKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIG
AFGYMECSAKTKDGVREVFEMATRAALQA
Ligand information
Ligand IDWKY
InChIInChI=1S/C8H10N2O/c1-6-5-9-4-3-8(6)10-7(2)11/h3-5H,1-2H3,(H,9,10,11)
InChIKeyDHUDCBCQKIWLSB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cnccc1NC(=O)C
CACTVS 3.385CC(=O)Nc1ccncc1C
ACDLabs 12.01c1(cnccc1NC(C)=O)C
FormulaC8 H10 N2 O
NameN-(3-methylpyridin-4-yl)acetamide
ChEMBL
DrugBank
ZINCZINC000003953294
PDB chain7g88 Chain A Residue 201 [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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PDB7g88 ARHGEF2 PanDDA analysis group deposition
Resolution1.869 Å
Binding residue
(original residue number in PDB)		R5 K7 A56 W58
Binding residue
(residue number reindexed from 1)		R3 K5 A54 W56
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.5.2: small monomeric GTPase.
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0003925 G protein activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0017022 myosin binding
GO:0019901 protein kinase binding
Biological Process
GO:0000902 cell morphogenesis
GO:0001764 neuron migration
GO:0001822 kidney development
GO:0001998 angiotensin-mediated vasoconstriction involved in regulation of systemic arterial blood pressure
GO:0002363 alpha-beta T cell lineage commitment
GO:0003100 regulation of systemic arterial blood pressure by endothelin
GO:0003189 aortic valve formation
GO:0006357 regulation of transcription by RNA polymerase II
GO:0007010 cytoskeleton organization
GO:0007155 cell adhesion
GO:0007160 cell-matrix adhesion
GO:0007264 small GTPase-mediated signal transduction
GO:0007266 Rho protein signal transduction
GO:0007519 skeletal muscle tissue development
GO:0010812 negative regulation of cell-substrate adhesion
GO:0010975 regulation of neuron projection development
GO:0016477 cell migration
GO:0021762 substantia nigra development
GO:0021795 cerebral cortex cell migration
GO:0021861 forebrain radial glial cell differentiation
GO:0030036 actin cytoskeleton organization
GO:0030154 cell differentiation
GO:0030334 regulation of cell migration
GO:0030521 androgen receptor signaling pathway
GO:0031122 cytoplasmic microtubule organization
GO:0032467 positive regulation of cytokinesis
GO:0032956 regulation of actin cytoskeleton organization
GO:0033144 negative regulation of intracellular steroid hormone receptor signaling pathway
GO:0033688 regulation of osteoblast proliferation
GO:0034329 cell junction assembly
GO:0034446 substrate adhesion-dependent cell spreading
GO:0035385 Roundabout signaling pathway
GO:0036089 cleavage furrow formation
GO:0038027 apolipoprotein A-I-mediated signaling pathway
GO:0042476 odontogenesis
GO:0043123 positive regulation of canonical NF-kappaB signal transduction
GO:0043149 stress fiber assembly
GO:0043297 apical junction assembly
GO:0043366 beta selection
GO:0043542 endothelial cell migration
GO:0043931 ossification involved in bone maturation
GO:0044319 wound healing, spreading of cells
GO:0045198 establishment of epithelial cell apical/basal polarity
GO:0045666 positive regulation of neuron differentiation
GO:0045792 negative regulation of cell size
GO:0046638 positive regulation of alpha-beta T cell differentiation
GO:0050919 negative chemotaxis
GO:0051301 cell division
GO:0051496 positive regulation of stress fiber assembly
GO:0051893 regulation of focal adhesion assembly
GO:0060071 Wnt signaling pathway, planar cell polarity pathway
GO:0060193 positive regulation of lipase activity
GO:0061430 bone trabecula morphogenesis
GO:0070507 regulation of microtubule cytoskeleton organization
GO:0071222 cellular response to lipopolysaccharide
GO:0071345 cellular response to cytokine stimulus
GO:0071526 semaphorin-plexin signaling pathway
GO:0071803 positive regulation of podosome assembly
GO:0071902 positive regulation of protein serine/threonine kinase activity
GO:0090051 negative regulation of cell migration involved in sprouting angiogenesis
GO:0090307 mitotic spindle assembly
GO:0090324 negative regulation of oxidative phosphorylation
GO:0097049 motor neuron apoptotic process
GO:0097498 endothelial tube lumen extension
GO:0099159 regulation of modification of postsynaptic structure
GO:1901224 positive regulation of non-canonical NF-kappaB signal transduction
GO:1902766 skeletal muscle satellite cell migration
GO:1903427 negative regulation of reactive oxygen species biosynthetic process
GO:1903673 mitotic cleavage furrow formation
GO:1904695 positive regulation of vascular associated smooth muscle contraction
GO:1904996 positive regulation of leukocyte adhesion to vascular endothelial cell
GO:1905274 regulation of modification of postsynaptic actin cytoskeleton
GO:1990869 cellular response to chemokine
GO:2000177 regulation of neural precursor cell proliferation
GO:2000406 positive regulation of T cell migration
GO:2000672 negative regulation of motor neuron apoptotic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005768 endosome
GO:0005789 endoplasmic reticulum membrane
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005886 plasma membrane
GO:0005925 focal adhesion
GO:0005938 cell cortex
GO:0009898 cytoplasmic side of plasma membrane
GO:0030027 lamellipodium
GO:0030054 cell junction
GO:0030425 dendrite
GO:0030496 midbody
GO:0030667 secretory granule membrane
GO:0031982 vesicle
GO:0032154 cleavage furrow
GO:0032587 ruffle membrane
GO:0042995 cell projection
GO:0043197 dendritic spine
GO:0043296 apical junction complex
GO:0070062 extracellular exosome
GO:0071944 cell periphery
GO:0098794 postsynapse
GO:0098978 glutamatergic synapse
GO:0101003 ficolin-1-rich granule membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:7g88, PDBe:7g88, PDBj:7g88
PDBsum7g88
PubMed
UniProtP61586|RHOA_HUMAN Transforming protein RhoA (Gene Name=RHOA)

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