Structure of PDB 1z0i Chain A Binding Site BS01

Receptor Information
>1z0i Chain A (length=158) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYSFKVVLLGEGCVGKTSLVLRYCENKFNDKHITTLQASFLTKKLNIGGK
RVNLAIWDTAPIYYRDSNGAILVYDITDEDSFQKVKNWVKELRKMLGNEI
CLCIVGNKIDLEKERHVSIQEAESYAESVGAKHYHTSAKQNKGIEELFLD
LCKRMIET
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 chain1z0i Chain A Residue 200 [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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PDB1z0i Structural basis of family-wide Rab GTPase recognition by rabenosyn-5.
Resolution2.33 Å
Binding residue
(original residue number in PDB)		C29 G31 K32 T33 S34 F44 N45 D46 N132 K133 D135 S162 A163 K164
Binding residue
(residue number reindexed from 1)		C13 G15 K16 T17 S18 F28 N29 D30 N107 K108 D110 S137 A138 K139
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0032482 Rab protein signal transduction

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:1z0i, PDBe:1z0i, PDBj:1z0i
PDBsum1z0i
PubMed16034420
UniProtQ9UL25|RAB21_HUMAN Ras-related protein Rab-21 (Gene Name=RAB21)

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