Structure of PDB 7s0z Chain C Binding Site BS01

Receptor Information
>7s0z Chain C (length=179) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPPPSETHKLVVVGGGGVGKSALTIQFIQSYFVSDYDPNIEDSYTKICSV
DGIPARLDILDTAGQEEFGAMREQYMRAGHGFLLVFAINDRQSFNEVGKL
FTQILRVKDRDDFPVVLVGNKADLESQRQVPRSEASAFGASHHVAYFEAS
AKLRLNVDEAFEQLVRAVRKYQEQELPPS
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 chain7s0z Chain C Residue 305 [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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PDB7s0z Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B.
Resolution2.34 Å
Binding residue
(original residue number in PDB)		G39 V40 G41 K42 S43 A44 F54 N142 K143 D145 L146 S172 A173 K174
Binding residue
(residue number reindexed from 1)		G17 V18 G19 K20 S21 A22 F32 N120 K121 D123 L124 S150 A151 K152
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.5.-
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:7s0z, PDBe:7s0z, PDBj:7s0z
PDBsum7s0z
PubMed34678063
UniProtP10301|RRAS_HUMAN Ras-related protein R-Ras (Gene Name=RRAS)

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