Structure of PDB 7cug Chain A Binding Site BS01

Receptor Information
>7cug Chain A (length=303) Species: 36824 (Bacillus sp. TB-90) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VMYYGKGDVFAYRTYLKPLTGVRTIPESPFSGRDHILFGVNVKISVGGTK
LLTSFTKGDNSLVVATDSMKNFIQKHLASYTGTTIEGFLEYVATSFLKKY
SHIEKISLIGEEIPFETTFAVKNGNRAASELVFKKSRNEYATAYLNMVRN
EDNTLNITEQQSGLAGLQLIKVSGNSFVGFIRDEYTTLPEDSNRPLFVYL
NIKWKYKNTEDSFGTNPENYVAAEQIRDIATSVFHETETLSIQHLIYLIG
RRILERFPQLQEVYFESQNHTWDKIVEEIPESEGKVYTEPRPPYGFQCFT
VTQ
Ligand information
Ligand IDAZA
InChIInChI=1S/C4H3N5O2/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11)
InChIKeyKVGVQTOQSNJTJI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O=C1NC(=O)c2nn[nH]c2N1
OpenEye OEToolkits 1.5.0c12c([nH]nn1)NC(=O)NC2=O
ACDLabs 10.04O=C2Nc1nnnc1C(=O)N2
FormulaC4 H3 N5 O2
Name8-AZAXANTHINE
ChEMBLCHEMBL219341
DrugBankDB01875
ZINCZINC000018123155
PDB chain7cug Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7cug Identification of quasi-stable water molecules near the Thr73-Lys13 catalytic diad of Bacillus sp. TB-90 urate oxidase by X-ray crystallography with controlled humidity.
Resolution1.62 Å
Binding residue
(original residue number in PDB)		F184 R201 S248 I249 Q250
Binding residue
(residue number reindexed from 1)		F177 R194 S241 I242 Q243
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) K13 T73 R201 Q250 T278
Catalytic site (residue number reindexed from 1) K6 T66 R194 Q243 T271
Enzyme Commision number 1.7.3.3: factor independent urate hydroxylase.
4.1.1.97: 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase.
Gene Ontology
Molecular Function
GO:0004846 urate oxidase activity
Biological Process
GO:0006144 purine nucleobase metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7cug, PDBe:7cug, PDBj:7cug
PDBsum7cug
PubMed33002140
UniProtQ45697|PUCL_BACSB Uric acid degradation bifunctional protein (Gene Name=uao)

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