Structure of PDB 1ws2 Chain C Binding Site BS02

Receptor Information
>1ws2 Chain C (length=298) 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
SLPNKHYFEIDLSWHKGLQNTGKNAEVFAPQSDPNGLIKCTVGRSSLK
Ligand information
Ligand IDURN
InChIInChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)
InChIKeyBBTNLADSUVOPPN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1NC(N)=C(N)C(=O)N1
CACTVS 3.341NC1=C(N)C(=O)NC(=O)N1
OpenEye OEToolkits 1.5.0C1(=C(NC(=O)NC1=O)N)N
FormulaC4 H6 N4 O2
Name5,6-DIAMINOPYRIMIDINE-2,4(1H,3H)-DIONE;
5,6-DIAMINOURACIL
ChEMBLCHEMBL34076
DrugBankDB03826
ZINCZINC000001666585
PDB chain1ws2 Chain C Residue 3900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ws2 Urate oxidase from Aspergillus flavus: new crystal-packing contacts in relation to the content of the active site.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		I54 A56 T57
Binding residue
(residue number reindexed from 1)		I54 A56 T57
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:1ws2, PDBe:1ws2, PDBj:1ws2
PDBsum1ws2
PubMed15735331
UniProtQ00511|URIC_ASPFL Uricase (Gene Name=uaZ)

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