Structure of PDB 5ayj Chain D Binding Site BS01

Receptor Information
>5ayj Chain D (length=294) Species: 36824 (Bacillus sp. TB-90) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVMYYGKGDVFAYRTYLKPLTGVRTIPESPFSGRDHILFGVNVKISVGGT
KLLTSFTKGDNSLVVATDSMKNFIQKHLASYTGTTIEGFLEYVATSFLKK
YSHIEKISLIGEEIPFETTFAVASELVFKKSRNEYATAYLNMVRNEDNTL
NITEQQSGLAGLQLIKVSGNSFVGFIRDEYTTLPEDSNRPLFVYLNIKWK
YKNTEDSFGTNPENYVAAEQIRDIATSVFHETETLSIQHLIYLIGRRILE
RFPQLQEVYFESQNHTWDKIVEEIGKVYTEPCPPYGFQCFTVTQ
Ligand information
Ligand IDMUA
InChIInChI=1S/C6H6N4O3/c1-10-3-2(7-6(10)13)4(11)9-5(12)8-3/h1H3,(H,7,13)(H2,8,9,11,12)
InChIKeyXJEJWDFDVPDMAS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN1C2=C(C(=O)NC(=O)N2)NC1=O
CACTVS 3.341CN1C(=O)NC2=C1NC(=O)NC2=O
ACDLabs 10.04O=C1C2=C(NC(=O)N1)N(C(=O)N2)C
FormulaC6 H6 N4 O3
Name9-METHYL URIC ACID
ChEMBLCHEMBL34921
DrugBankDB03293
ZINCZINC000002584391
PDB chain5ayj Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ayj Hyperstabilization of Tetrameric Bacillus sp. TB-90 Urate Oxidase by Introducing Disulfide Bonds through Structural Plasticity
Resolution2.05 Å
Binding residue
(original residue number in PDB)		T73 D74
Binding residue
(residue number reindexed from 1)		T67 D68
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K13 T73 R201 Q250 T278
Catalytic site (residue number reindexed from 1) K7 T67 R189 Q238 T266
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:5ayj, PDBe:5ayj, PDBj:5ayj
PDBsum5ayj
PubMed26739254
UniProtQ45697|PUCL_BACSB Uric acid degradation bifunctional protein (Gene Name=uao)

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