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Structure of PDB 1qe5 Chain A Binding Site BS01

Receptor Information >1qe5 Chain A (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 ID PO4 InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3 InChIKey NBIIXXVUZAFLBC-UHFFFAOYSA-K SMILES Software SMILES CACTVS 3.341 [O-][P]([O-])([O-])=O ACDLabs 10.04 [O-]P([O-])([O-])=O OpenEye OEToolkits 1.5.0 [O-]P(=O)([O-])[O-] Formula O4 P Name PHOSPHATE ION ChEMBL DrugBank DB14523 ZINC PDB chain 1qe5 Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure 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] PDB 1qe5 Crystal structure of the purine nucleoside phosphorylase (PNP) from Cellulomonas sp. and its implication for the mechanism of trimeric PNPs. Resolution 2.2 Å Binding residue (original residue number in PDB) S46 R103 H105 N134 S223 Binding residue (residue number reindexed from 1) S38 R87 H89 N118 S207 Annotation score 1

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

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