Structure of PDB 1qe5 Chain B Binding Site BS02

Receptor Information
>1qe5 Chain B (length=266) Species: 40001 (Cellulomonas sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPLDDPATDPFLVARAAADHIAQATGVEGHDMALVLGSGWGGAAELLGEV
VAEVPTHEIPGFSSVTRSIRVERADGSVRHALVLGSRTHLYEGKGVRAVV
HGVRTAAATGAETLILTNGCGGLNQEWGAGTPVLLSDHINLTARSPLEGP
TFVDLTDVYSPRLRELAHRVDPTLPEGVYAQFPGPHYETPAEVRMAGILG
ADLVGMSTTLEAIAARHCGLEVLGVSLVTNLAAGISPTPLSHAEVIEAGQ
AAGPRISALLADIAKR
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1qe5 Chain B Residue 300 [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]
PDB1qe5 Crystal structure of the purine nucleoside phosphorylase (PNP) from Cellulomonas sp. and its implication for the mechanism of trimeric PNPs.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G126 E128
Binding residue
(residue number reindexed from 1)		G110 E112
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S46 R83 H105 Y107 E108 G135 M222 S223 N246 H258
Catalytic site (residue number reindexed from 1) S38 R67 H89 Y91 E92 G119 M206 S207 N230 H242
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:0009116 nucleoside metabolic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1qe5, PDBe:1qe5, PDBj:1qe5
PDBsum1qe5
PubMed10600382
UniProtP81989|PUNA_CELSP Purine nucleoside phosphorylase (Gene Name=punA)

[Back to BioLiP]