Structure of PDB 7ooz Chain B Binding Site BS01

Receptor Information
>7ooz Chain B (length=233) Species: 85962 (Helicobacter pylori 26695) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTPHINAKIGDFYPQCLLCGDPLRVSYIAKKFLQDAKEITNVRNMLGFSG
KYKGRGISLMGHGMGIASCTIYVTELIKTYQVKELLRIGTCGAISPKVGL
KDIIMATGASTDSKTNRVRFLNHDLSATPDFELSLRAYQTAKRLGIDLKV
GNVFSSDFFYSFETHAFDLMAKYNHLAIEMEAAGLYATAMELNAKALCLC
SVSDHLITKEALSPKERVESFDNMIILALEMMS
Ligand information
Ligand ID05Q
InChIInChI=1S/C12H9ClN4O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15,16,17)
InChIKeyXKVATRYEPITAPH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Clc1nc(OCc2ccccc2)c3[nH]cnc3n1
OpenEye OEToolkits 2.0.7c1ccc(cc1)COc2c3c(nc[nH]3)nc(n2)Cl
FormulaC12 H9 Cl N4 O
Name6-benzyloxo-2-chloropurine;
2-chloranyl-6-phenylmethoxy-7H-purine
ChEMBL
DrugBank
ZINC
PDB chain7ooz Chain B Residue 302 [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]
PDB7ooz Interactions of 2,6-substituted purines with purine nucleoside phosphorylase from Helicobacter pylori in solution and in the crystal, and the effects of these compounds on cell cultures of this bacterium.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		T90 C91 G92 F159 F167 I178 M180 S203 D204
Binding residue
(residue number reindexed from 1)		T90 C91 G92 F159 F167 I178 M180 S203 D204
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.2.1: purine-nucleoside phosphorylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004731 purine-nucleoside phosphorylase activity
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006152 purine nucleoside catabolic process
GO:0009116 nucleoside metabolic process
GO:0009164 nucleoside catabolic process
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7ooz, PDBe:7ooz, PDBj:7ooz
PDBsum7ooz
PubMed35437103
UniProtP56463|DEOD_HELPY Purine nucleoside phosphorylase DeoD-type (Gene Name=deoD)

[Back to BioLiP]