Structure of PDB 7xqv Chain A Binding Site BS01

Receptor Information
>7xqv Chain A (length=163) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQ
VELALWDTAGLEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPE
VKHFCPNVPIILVGNKKDLRPVKPEEGRDMANRIGAFGYMECSAKTKDGV
REVFEMATRAALQ
Ligand information
Ligand IDGNP
InChIInChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
InChIKeyUQABYHGXWYXDTK-UUOKFMHZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
FormulaC10 H17 N6 O13 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
ChEMBLCHEMBL1233085
DrugBankDB02082
ZINCZINC000037868676
PDB chain7xqv Chain A Residue 202 [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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PDB7xqv Structural insights into the binding of nanobody Rh57 to active RhoA-GTP
Resolution2.76 Å
Binding residue
(original residue number in PDB)		A15 C16 G17 K18 T19 C20 F30 Y34 P36 T37 G62 K118 D120 S160 A161 K162
Binding residue
(residue number reindexed from 1)		A13 C14 G15 K16 T17 C18 F28 Y32 P34 T35 G60 K116 D118 S143 A144 K145
Annotation score3
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:0019003 GDP binding
GO:0019901 protein kinase binding
GO:0019904 protein domain specific binding
GO:0051022 Rho GDP-dissociation inhibitor binding
Biological Process
GO:0000902 cell morphogenesis
GO:0001666 response to hypoxia
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:0007019 microtubule depolymerization
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:0008064 regulation of actin polymerization or depolymerization
GO:0009410 response to xenobiotic stimulus
GO:0009612 response to mechanical stimulus
GO:0009749 response to glucose
GO:0010812 negative regulation of cell-substrate adhesion
GO:0010975 regulation of neuron projection development
GO:0010977 negative regulation of neuron projection development
GO:0016477 cell migration
GO:0021795 cerebral cortex cell migration
GO:0021861 forebrain radial glial cell differentiation
GO:0030036 actin cytoskeleton organization
GO:0030154 cell differentiation
GO:0030307 positive regulation of cell growth
GO:0030334 regulation of cell migration
GO:0030335 positive regulation of cell migration
GO:0030521 androgen receptor signaling pathway
GO:0030838 positive regulation of actin filament polymerization
GO:0031098 stress-activated protein kinase signaling cascade
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:0043124 negative regulation of canonical NF-kappaB signal transduction
GO:0043149 stress fiber assembly
GO:0043200 response to amino acid
GO:0043297 apical junction assembly
GO:0043366 beta selection
GO:0043525 positive regulation of neuron apoptotic process
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:0045471 response to ethanol
GO:0045665 negative regulation of neuron differentiation
GO:0045666 positive regulation of neuron differentiation
GO:0045727 positive regulation of translation
GO:0045785 positive regulation of cell adhesion
GO:0045792 negative regulation of cell size
GO:0045907 positive regulation of vasoconstriction
GO:0045987 positive regulation of smooth muscle contraction
GO:0046039 GTP metabolic process
GO:0046638 positive regulation of alpha-beta T cell differentiation
GO:0048812 neuron projection morphogenesis
GO:0050773 regulation of dendrite development
GO:0050919 negative chemotaxis
GO:0051301 cell division
GO:0051384 response to glucocorticoid
GO:0051496 positive regulation of stress fiber assembly
GO:0051924 regulation of calcium ion transport
GO:0051964 negative regulation of synapse assembly
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:0071393 cellular response to progesterone 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: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:1904706 negative regulation of vascular associated smooth muscle cell proliferation
GO:1904753 negative regulation of vascular associated smooth muscle cell migration
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:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005886 plasma membrane
GO:0005938 cell cortex
GO:0009898 cytoplasmic side of plasma membrane
GO:0016020 membrane
GO:0030027 lamellipodium
GO:0030424 axon
GO:0030425 dendrite
GO:0030496 midbody
GO:0031982 vesicle
GO:0032154 cleavage furrow
GO:0032587 ruffle membrane
GO:0042995 cell projection
GO:0043025 neuronal cell body
GO:0043197 dendritic spine
GO:0043296 apical junction complex
GO:0071944 cell periphery
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:7xqv, PDBe:7xqv, PDBj:7xqv
PDBsum7xqv
PubMed35665664
UniProtP61589|RHOA_RAT Transforming protein RhoA (Gene Name=Rhoa)

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