Structure of PDB 2w2v Chain B Binding Site BS01

Receptor Information
>2w2v Chain B (length=170) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QAIKCVVVGDVAVGKTCLLISYTTNAFPGIPTVFDNYSANVMVDSKPVNL
GLWDTAGQEDYDRLRPLSYPQTDVFLICFSLVSPASYENVRAKWFPEVRH
HCPSTPIILVGTKLDLRDDKDTIEKLKLAPITYPQGLALAKEIDSVKYLE
CSALTQRGLKTVFDEAIRAV
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain2w2v Chain B Residue 500 [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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PDB2w2v Structural Insights Into Formation of an Active Signaling Complex between Rac and Phospholipase C Gamma 2.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A13 G15 K16 T17 C18 F28 I33 D57 K116 D118 A159 L160
Binding residue
(residue number reindexed from 1)		A12 G14 K15 T16 C17 F27 I30 D54 K113 D115 A153 L154
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0019887 protein kinase regulator activity
Biological Process
GO:0006935 chemotaxis
GO:0007015 actin filament organization
GO:0007165 signal transduction
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007264 small GTPase-mediated signal transduction
GO:0008283 cell population proliferation
GO:0010310 regulation of hydrogen peroxide metabolic process
GO:0010592 positive regulation of lamellipodium assembly
GO:0010810 regulation of cell-substrate adhesion
GO:0030031 cell projection assembly
GO:0030036 actin cytoskeleton organization
GO:0042129 regulation of T cell proliferation
GO:0043131 erythrocyte enucleation
GO:0043304 regulation of mast cell degranulation
GO:0045453 bone resorption
GO:0045730 respiratory burst
GO:0060263 regulation of respiratory burst
GO:0060753 regulation of mast cell chemotaxis
GO:0070662 mast cell proliferation
GO:0070668 positive regulation of mast cell proliferation
GO:0071593 lymphocyte aggregation
GO:0090023 positive regulation of neutrophil chemotaxis
GO:1902622 regulation of neutrophil migration
GO:1903955 positive regulation of protein targeting to mitochondrion
Cellular Component
GO:0005635 nuclear envelope
GO:0005737 cytoplasm
GO:0005741 mitochondrial outer membrane
GO:0005789 endoplasmic reticulum membrane
GO:0005829 cytosol
GO:0005884 actin filament
GO:0005886 plasma membrane
GO:0005925 focal adhesion
GO:0016020 membrane
GO:0030027 lamellipodium
GO:0030670 phagocytic vesicle membrane
GO:0043020 NADPH oxidase complex
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2w2v, PDBe:2w2v, PDBj:2w2v
PDBsum2w2v
PubMed19394299
UniProtP15153|RAC2_HUMAN Ras-related C3 botulinum toxin substrate 2 (Gene Name=RAC2)

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