Structure of PDB 2gcn Chain A Binding Site BS02

Receptor Information
>2gcn Chain A (length=177) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYIADIEVDGKQ
VELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPE
VKHFCPNVPIILVGNKKDLRQDEHTRRELAKMKQEPVRSEEGRDMANRIS
AFGYLECSAKTKEGVREVFEMATRAGL
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 chain2gcn Chain A Residue 1001 [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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PDB2gcn X-ray Crystal Structures Reveal Two Activated States for RhoC.
Resolution1.85 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)		A13 G15 K16 T17 C18 F28 K116 D118 L119 S158 K160
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0019901 protein kinase binding
Biological Process
GO:0000281 mitotic cytokinesis
GO:0007015 actin filament organization
GO:0007165 signal transduction
GO:0007264 small GTPase-mediated signal transduction
GO:0030335 positive regulation of cell migration
GO:0031334 positive regulation of protein-containing complex assembly
GO:0032956 regulation of actin cytoskeleton organization
GO:0043123 positive regulation of canonical NF-kappaB signal transduction
GO:0043297 apical junction assembly
GO:0044319 wound healing, spreading of cells
GO:0051496 positive regulation of stress fiber assembly
GO:0060193 positive regulation of lipase activity
GO:1902766 skeletal muscle satellite cell migration
Cellular Component
GO:0005634 nucleus
GO:0005789 endoplasmic reticulum membrane
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0032154 cleavage furrow
GO:0032420 stereocilium
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:2gcn, PDBe:2gcn, PDBj:2gcn
PDBsum2gcn
PubMed17497936
UniProtP08134|RHOC_HUMAN Rho-related GTP-binding protein RhoC (Gene Name=RHOC)

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