Structure of PDB 3ld4 Chain A Binding Site BS01

Receptor Information
>3ld4 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 ID8NX
InChIInChI=1S/C5H3N5O4/c11-3-1-2(8-5(12)9-3)7-4(6-1)10(13)14/h(H3,6,7,8,9,11,12)
InChIKeyLXDVSSPKQAHSGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352[O-][N+](=O)c1[nH]c2C(=O)NC(=O)Nc2n1
OpenEye OEToolkits 1.7.0c12c(nc([nH]1)[N+](=O)[O-])NC(=O)NC2=O
FormulaC5 H3 N5 O4
Name8-nitro-3,7-dihydro-1H-purine-2,6-dione;
8-nitro xanthine
ChEMBL
DrugBank
ZINC
PDB chain3ld4 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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PDB3ld4 Near-atomic resolution structures of urate oxidase complexed with its substrate and analogues: the protonation state of the ligand.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		F159 L170 R176 S226 V227 Q228 N254
Binding residue
(residue number reindexed from 1)		F159 L170 R176 S226 V227 Q228 N254
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:3ld4, PDBe:3ld4, PDBj:3ld4
PDBsum3ld4
PubMed20516624
UniProtQ00511|URIC_ASPFL Uricase (Gene Name=uaZ)

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