Structure of PDB 3ozb Chain E Binding Site BS01

Receptor Information
>3ozb Chain E (length=236) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VYAIIGGTGLTQLEGLTLSESLPIETPYGAPSAPLQRGRYAGREVLFLAR
HPPHQVNYRANLWALKQAGAEAVIAVNAVGGIHAAMGTGHLCVPHQLIDY
TSGREHTYFAGDIEHVTHIDFSHPYDEPLRQRLIEALRALGLAHSSHGVY
ACTQGPRLETVAEIARLERDGNDIVGMTGMPEAALARELDLPYACLALVV
NPAAGKSAGIITMAEIEQALHDGIGKVREVLARVLA
Ligand information
Ligand IDHPA
InChIInChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChIKeyFDGQSTZJBFJUBT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1c2c(N=CN1)ncn2
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)N=CNC2=O
CACTVS 3.341O=C1NC=Nc2nc[nH]c12
FormulaC5 H4 N4 O
NameHYPOXANTHINE
ChEMBLCHEMBL1427
DrugBankDB04076
ZINCZINC000018153302
PDB chain3ozb Chain E Residue 260 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ozb Methylthioinosine phosphorylase from Pseudomonas aeruginosa. Structure and annotation of a novel enzyme in quorum sensing.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		V101 G102 E181 V197 N223
Binding residue
(residue number reindexed from 1)		V79 G80 E159 V175 N201
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T24 P47 P74 A100 M199 T200 N223 A225 M235
Catalytic site (residue number reindexed from 1) T8 P31 P52 A78 M177 T178 N201 A203 M213
Enzyme Commision number 2.4.2.44: S-methyl-5'-thioinosine phosphorylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
GO:0017061 S-methyl-5-thioadenosine phosphorylase activity
Biological Process
GO:0006166 purine ribonucleoside salvage
GO:0009116 nucleoside metabolic process
GO:0019509 L-methionine salvage from methylthioadenosine
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ozb, PDBe:3ozb, PDBj:3ozb
PDBsum3ozb
PubMed21197954
UniProtQ9HZK1|MTIP_PSEAE S-methyl-5'-thioinosine phosphorylase (Gene Name=PA3004)

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