Structure of PDB 7op9 Chain F Binding Site BS01

Receptor Information
>7op9 Chain F (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 ID06K
InChIInChI=1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
InChIKeyRMFWVOLULURGJI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Clc1nc(Cl)c2[nH]cnc2n1
OpenEye OEToolkits 2.0.7c1[nH]c2c(n1)nc(nc2Cl)Cl
FormulaC5 H2 Cl2 N4
Name2,6-bis(chloranyl)-7H-purine;
2,6-dichloropurine
ChEMBLCHEMBL1256006
DrugBank
ZINCZINC000013516915
PDB chain7op9 Chain F Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7op9 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.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		T90 G92 F159 I178 E179 M180 D204
Binding residue
(residue number reindexed from 1)		T90 G92 F159 I178 E179 M180 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

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Cellular Component
External links
PDB RCSB:7op9, PDBe:7op9, PDBj:7op9
PDBsum7op9
PubMed35437103
UniProtP56463|DEOD_HELPY Purine nucleoside phosphorylase DeoD-type (Gene Name=deoD)

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