Structure of PDB 2pes Chain A Binding Site BS01

Receptor Information
>2pes Chain A (length=295) Species: 5059 (Aspergillus flavus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAVKAARYGKDNVRVYKVHKDEKTGVQTVYEMTVCVLLEGEIETSYTKAD
NSVIVATDSIKNTIYITAKQNPVTPPELFGSILGTHFIEKYNHIHAAHVN
IVCHRWTRMDIDGKPHPHSFIRDSEEKRNVQVDVVEGKGIDIKSSLSGLT
VLKSTNSQFWGFLRDEYTTLKETWDRILSTDVDATWQWKNFSGLQEVRSH
VPKFDATWATAREVTLKTFAEDNSASVQATMYKMAEQILARQQLIETVEY
SLPNKHYFEIDLSWHKGLQNTGKNAEVFAPQSDPNGLIKCTVGRS
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 chain2pes Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2pes A dipicolinate lanthanide complex for solving protein structures using anomalous diffraction.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		F159 R176 S226 V227 Q228
Binding residue
(residue number reindexed from 1)		F159 R176 S226 V227 Q228
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) K10 T57 R176 Q228 H256
Catalytic site (residue number reindexed from 1) K10 T57 R176 Q228 H256
Enzyme Commision number 1.7.3.3: factor independent urate hydroxylase.
Gene Ontology
Molecular Function
GO:0004846 urate oxidase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0006144 purine nucleobase metabolic process
GO:0006145 purine nucleobase catabolic process
GO:0019628 urate catabolic process
Cellular Component
GO:0005777 peroxisome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2pes, PDBe:2pes, PDBj:2pes
PDBsum2pes
PubMed20606256
UniProtQ00511|URIC_ASPFL Uricase (Gene Name=uaZ)

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