Structure of PDB 3ozb Chain B Binding Site BS01

Receptor Information
>3ozb Chain B (length=238) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVYAIIGGTGLTQLEGLTLSESLPIETPYGAPSAPLQRGRYAGREVLFLA
RHGPPHQVNYRANLWALKQAGAEAVIAVNAVGGIHAAMGTGHLCVPHQLI
DYTSGREHTYFAGDIEHVTHIDFSHPYDEPLRQRLIEALRALGLAHSSHG
VYACTQGPRLETVAEIARLERDGNDIVGMTGMPEAALARELDLPYACLAL
VVNPAAGKSAGIITMAEIEQALHDGIGKVREVLARVLA
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 B Residue 260 [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]
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 L180 E181 V197 M199 N223
Binding residue
(residue number reindexed from 1)		V81 G82 L160 E161 V177 M179 N203
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) T9 P32 P54 A80 M179 T180 N203 A205 M215
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

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

[Back to BioLiP]