Structure of PDB 3lbg Chain A Binding Site BS01

Receptor Information
>3lbg 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 ID8TX
InChIInChI=1S/C5H4N4O2S/c10-3-1-2(7-4(11)9-3)8-5(12)6-1/h(H4,6,7,8,9,10,11,12)
InChIKeyKFQXXACDWBTCDT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352O=C1NC(=O)C2=C(N1)NC(=S)N2
OpenEye OEToolkits 1.7.0C12=C(NC(=O)NC1=O)NC(=S)N2
FormulaC5 H4 N4 O2 S
Name8-thioxo-3,7,8,9-tetrahydro-1H-purine-2,6-dione
ChEMBLCHEMBL1230639
DrugBank
ZINCZINC000013543258
PDB chain3lbg Chain A Residue 296 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3lbg Near-atomic resolution structures of urate oxidase complexed with its substrate and analogues: the protonation state of the ligand.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		F159 R176 S226 V227 Q228 N254
Binding residue
(residue number reindexed from 1)		F159 R176 S226 V227 Q228 N254
Annotation score3
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:3lbg, PDBe:3lbg, PDBj:3lbg
PDBsum3lbg
PubMed20516624
UniProtQ00511|URIC_ASPFL Uricase (Gene Name=uaZ)

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