Structure of PDB 3lba Chain A Binding Site BS01

Receptor Information
>3lba Chain A (length=260) Species: 210007 (Streptococcus mutans UA159) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSLLKKIYETRDFLTAKGVQKPEFGLILGSGLGELAEEIENALVLNYADI
PNWGRSGKLIYGELAGRKVLALQGRFHYYEGNSMELVTFPIRIMKALGCQ
GLIVTNAAGGIGFGPGTLMAISDHINLTGANPLMGENLDDFGFRFPDMSN
AYTADYREVAHQVADKIGIKLDEGVYIGVSGPSYETPAEIRAFKTLGADA
VGMSTVPEVIVAVHSGLKVLGISAITNYAAGFQSELNVVAVTQQIKEDFK
GLVKAILVEL
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 chain3lba Chain A Residue 290 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3lba The Crystal Structure of smu.1229 from Streptococcus mutans UA159 bound to hypoxanthine
Resolution2.24 Å
Binding residue
(original residue number in PDB)		A113 A114 G115 Y190 E191 V207 G208 N233
Binding residue
(residue number reindexed from 1)		A107 A108 G109 Y184 E185 V201 G202 N227
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) S30 H83 Y85 E86 A113 M209 S210 N233 A235
Catalytic site (residue number reindexed from 1) S30 H77 Y79 E80 A107 M203 S204 N227 A229
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
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0009116 nucleoside metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3lba, PDBe:3lba, PDBj:3lba
PDBsum3lba
PubMed
UniProtQ8DTU4

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