Structure of PDB 7cuf Chain A Binding Site BS04

Receptor Information
>7cuf 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 IDMXE
InChIInChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
InChIKeyXNWFRZJHXBZDAG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		COCCO
ACDLabs 10.04OCCOC
FormulaC3 H8 O2
Name2-METHOXYETHANOL
ChEMBLCHEMBL444144
DrugBankDB02806
ZINCZINC000001591817
PDB chain7cuf Chain A Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7cuf 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.
Resolution1.46 Å
Binding residue
(original residue number in PDB)		I43 L44 F140
Binding residue
(residue number reindexed from 1)		I36 L37 F133
Annotation score1
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:7cuf, PDBe:7cuf, PDBj:7cuf
PDBsum7cuf
PubMed33002140
UniProtQ45697|PUCL_BACSB Uric acid degradation bifunctional protein (Gene Name=uao)

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