Structure of PDB 1a96 Chain B Binding Site BS02

Receptor Information
>1a96 Chain B (length=150) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKYIVTWDMLQIHARKLASRLMPSEQWKGIIAVSRGGLVPGALLARELGI
RHVDTVCISSYDHDNQRELKVLKRAEGDGEGFIVIDDLVDTGGTAVAIRE
MYPKAHFVTIFAKPAGRPLVDDYVVDIPQDTWIEQPWDMGVVFVPPISGR
Ligand information
Ligand IDXAN
InChIInChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChIKeyLRFVTYWOQMYALW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O=C1NC(=O)c2nc[nH]c2N1
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)C(=O)NC(=O)N2
ACDLabs 10.04O=C2c1ncnc1NC(=O)N2
FormulaC5 H4 N4 O2
NameXANTHINE
ChEMBLCHEMBL1424
DrugBankDB02134
ZINCZINC000013517187
PDB chain1a96 Chain B Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1a96 Structures of free and complexed forms of Escherichia coli xanthine-guanine phosphoribosyltransferase.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D92 W134 I135
Binding residue
(residue number reindexed from 1)		D90 W132 I133
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D88 D89 D92
Catalytic site (residue number reindexed from 1) D86 D87 D90
Enzyme Commision number 2.4.2.-
2.4.2.22: xanthine phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0000310 xanthine phosphoribosyltransferase activity
GO:0004422 hypoxanthine phosphoribosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0052657 guanine phosphoribosyltransferase activity
GO:0097216 guanosine tetraphosphate binding
Biological Process
GO:0006166 purine ribonucleoside salvage
GO:0032263 GMP salvage
GO:0032264 IMP salvage
GO:0032265 XMP salvage
GO:0051289 protein homotetramerization
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0032991 protein-containing complex

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Cellular Component
External links
PDB RCSB:1a96, PDBe:1a96, PDBj:1a96
PDBsum1a96
PubMed9743633
UniProtP0A9M5|XGPT_ECOLI Xanthine-guanine phosphoribosyltransferase (Gene Name=gpt)

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