Structure of PDB 2erx Chain B Binding Site BS02

Receptor Information
>2erx Chain B (length=166) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNDYRVAVFGAGGVGKSSLVLRFVKGTFRESYIPTVEDTYRQVISCSICT
LQITDTTGSHQFPAMQRLSISKGHAFILVYSITSRQSLEELKPIYEQICE
IKSIPIMLVGNKCDESPSREVQSSEAEALARTWKCAFMETSAKLNHNVKE
LFQELLNLEKRRTVSL
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 chain2erx Chain B Residue 401 [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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PDB2erx Crystal Structure of DiRas2
Resolution1.65 Å
Binding residue
(original residue number in PDB)		G17 V18 G19 K20 S21 S22 F32 R33 E34 Y36 N121 K122 D124 E125 S151 A152 K153
Binding residue
(residue number reindexed from 1)		G13 V14 G15 K16 S17 S18 F28 R29 E30 Y32 N111 K112 D114 E115 S141 A142 K143
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0007165 signal transduction
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2erx, PDBe:2erx, PDBj:2erx
PDBsum2erx
PubMed
UniProtQ96HU8|DIRA2_HUMAN GTP-binding protein Di-Ras2 (Gene Name=DIRAS2)

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