Structure of PDB 1z08 Chain D Binding Site BS02

Receptor Information
>1z08 Chain D (length=166) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YSFKVVLLGEGCVGKTSLVLRYCENKFNDKHITTLGASFLTKKLNIGGKR
VNLAIWDTAGQERFHALGPIYYRDSNGAILVYDITDEDSFQKVKNWVKEL
RKMLGNEICLCIVGNKIDLEKERHVSIQEAESYAESVGAKHYHTSAKQNK
GIEELFLDLCKRMIET
Ligand information
Ligand IDGNP
InChIInChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
InChIKeyUQABYHGXWYXDTK-UUOKFMHZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
FormulaC10 H17 N6 O13 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
ChEMBLCHEMBL1233085
DrugBankDB02082
ZINCZINC000037868676
PDB chain1z08 Chain D Residue 4200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1z08 Structural basis of family-wide Rab GTPase recognition by rabenosyn-5.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G28 G31 K32 T33 S34 F44 N45 D46 H48 G77 N132 K133 D135 L136 S162 A163 K164
Binding residue
(residue number reindexed from 1)		G11 G14 K15 T16 S17 F27 N28 D29 H31 G60 N115 K116 D118 L119 S145 A146 K147
Annotation score3
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
View graph for
Biological Process
External links
PDB RCSB:1z08, PDBe:1z08, PDBj:1z08
PDBsum1z08
PubMed16034420
UniProtQ9UL25|RAB21_HUMAN Ras-related protein Rab-21 (Gene Name=RAB21)

[Back to BioLiP]