Structure of PDB 2fv8 Chain A Binding Site BS01

Receptor Information
>2fv8 Chain A (length=180) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YFQSMIRKKLVVVGDGACGKTCLLIVFSKDEFPFENYVADIEVDGKQVEL
ALWDTAGQEDYDRLRPLSYPDTDVILMCFSVDSPDSLENIPEKWVPEVKH
FCPNVPIILVANKKDLRSDEHVRTELARMKQEPVRTDDGRAMAVRIQAYD
YLECSAKTKEGVREVFETATRAALQKRYGS
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain2fv8 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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PDB2fv8 The crystal structure of RhoB in the GDP-bound state
Resolution1.9 Å
Binding residue
(original residue number in PDB)		A15 G17 K18 T19 C20 F30 K118 D120 L121 S160 K162
Binding residue
(residue number reindexed from 1)		A17 G19 K20 T21 C22 F32 K113 D115 L116 S155 K157
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0019003 GDP binding
Biological Process
GO:0000281 mitotic cytokinesis
GO:0001525 angiogenesis
GO:0006886 intracellular protein transport
GO:0006915 apoptotic process
GO:0007015 actin filament organization
GO:0007155 cell adhesion
GO:0007165 signal transduction
GO:0007264 small GTPase-mediated signal transduction
GO:0007266 Rho protein signal transduction
GO:0008333 endosome to lysosome transport
GO:0010595 positive regulation of endothelial cell migration
GO:0015031 protein transport
GO:0030154 cell differentiation
GO:0030334 regulation of cell migration
GO:0030336 negative regulation of cell migration
GO:0043065 positive regulation of apoptotic process
GO:0045766 positive regulation of angiogenesis
GO:0045786 negative regulation of cell cycle
GO:0061154 endothelial tube morphogenesis
GO:0070301 cellular response to hydrogen peroxide
GO:0071479 cellular response to ionizing radiation
GO:0099159 regulation of modification of postsynaptic structure
Cellular Component
GO:0005634 nucleus
GO:0005768 endosome
GO:0005769 early endosome
GO:0005770 late endosome
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0005925 focal adhesion
GO:0010008 endosome membrane
GO:0016020 membrane
GO:0031902 late endosome membrane
GO:0032154 cleavage furrow
GO:0070062 extracellular exosome
GO:0098685 Schaffer collateral - CA1 synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2fv8, PDBe:2fv8, PDBj:2fv8
PDBsum2fv8
PubMed
UniProtP62745|RHOB_HUMAN Rho-related GTP-binding protein RhoB (Gene Name=RHOB)

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