Structure of PDB 1wrr Chain A Binding Site BS01

Receptor Information
>1wrr 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 IDUNC
InChIInChI=1S/C4H4N4O4/c5-1-2(8(11)12)6-4(10)7-3(1)9/h5H2,(H2,6,7,9,10)
InChIKeyCLOSWQFGCBFNCK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=[N+]([O-])C1=C(C(=O)NC(=O)N1)N
OpenEye OEToolkits 1.5.0C1(=C(NC(=O)NC1=O)[N+](=O)[O-])N
CACTVS 3.341NC1=C(NC(=O)NC1=O)[N+]([O-])=O
FormulaC4 H4 N4 O4
Name5-AMINO-6-NITROPYRIMIDINE-2,4(1H,3H)-DIONE;
5-AMINO 6-NITRO URACIL
ChEMBL
DrugBankDB03099
ZINCZINC000006452765
PDB chain1wrr Chain A Residue 999 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wrr Urate oxidase from Aspergillus flavus: new crystal-packing contacts in relation to the content of the active site.
Resolution1.64 Å
Binding residue
(original residue number in PDB)		F159 R176 V227 Q228
Binding residue
(residue number reindexed from 1)		F159 R176 V227 Q228
Annotation score1
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:1wrr, PDBe:1wrr, PDBj:1wrr
PDBsum1wrr
PubMed15735331
UniProtQ00511|URIC_ASPFL Uricase (Gene Name=uaZ)

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