Structure of PDB 4d13 Chain A Binding Site BS01

Receptor Information
>4d13 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 IDIUP
InChIInChI=1S/C5H4N4O5/c10-2-5(14-13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)/t5-/m0/s1
InChIKeyXHKXPKDICPOLRC-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C12=NC(=O)NC1(C(=O)NC(=O)N2)OO
CACTVS 3.385OO[C@@]12NC(=O)N=C1NC(=O)NC2=O
ACDLabs 12.01O=C2N=C1NC(=O)NC(=O)C1(OO)N2
OpenEye OEToolkits 1.7.6C12=NC(=O)N[C@]1(C(=O)NC(=O)N2)OO
CACTVS 3.385OO[C]12NC(=O)N=C1NC(=O)NC2=O
FormulaC5 H4 N4 O5
Name5-(HYDRO)PEROXOISOURATE
ChEMBL
DrugBank
ZINCZINC000223254697
PDB chain4d13 Chain A Residue 1297 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4d13 Direct evidence for a peroxide intermediate and a reactive enzyme-substrate-dioxygen configuration in a cofactor-free oxidase.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		F159 R176 S226 V227 Q228 N254 S295
Binding residue
(residue number reindexed from 1)		F159 R176 S226 V227 Q228 N254 S295
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:4d13, PDBe:4d13, PDBj:4d13
PDBsum4d13
PubMed25314114
UniProtQ00511|URIC_ASPFL Uricase (Gene Name=uaZ)

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