Structure of PDB 3odg Chain A Binding Site BS01

Receptor Information
>3odg Chain A (length=273) Species: 633 (Yersinia pseudotuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFNELPFQAVKYIQKIKPGFKPQIAFILGSGLGDLVDQITNDTTISYADI
PGFPVSSVHGHAGELVLGDLCGVPVMCMKGRGHFYEGKGMSIMTNPVRTF
KLMGCEFLFCTNAAGSLRPEVLPGSVVMLKDHINTMPGTPLVGPNDDRFG
PRFFSLANAYDKDLRADMAKIAQQLDIPLTEGVFVSYPGPCFETPAEIRM
MQIIGGDVVGMSVVPEVLSAAHCGLKVIALTAITNLAEGLSDVVLSHEQT
LKFAKVASVNFTKLIEAFLKSKA
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 chain3odg Chain A Residue 288 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3odg crystal structure of xanthosine phosphorylase bound with xanthine from Yersinia pseudotuberculosis
Resolution1.64 Å
Binding residue
(original residue number in PDB)		A126 G127 F204 E205 G222 M223 T246 N247
Binding residue
(residue number reindexed from 1)		A114 G115 F192 E193 G210 M211 T234 N235
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) S42 H73 H95 Y97 E98 A125 M223 S224 N247 A249 H259
Catalytic site (residue number reindexed from 1) S30 H61 H83 Y85 E86 A113 M211 S212 N235 A237 H247
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
GO:0055086 nucleobase-containing small molecule metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:3odg, PDBe:3odg, PDBj:3odg
PDBsum3odg
PubMed
UniProtQ66D48

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