Structure of PDB 4n9s Chain A Binding Site BS01

Receptor Information
>4n9s 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 ID8HX
InChIInChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
InChIKeyLEHOTFFKMJEONL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C2c1nc(O)nc1NC(=O)N2
OpenEye OEToolkits 1.7.6c12c([nH]c(n1)O)NC(=O)NC2=O
CACTVS 3.385Oc1[nH]c2NC(=O)NC(=O)c2n1
FormulaC5 H4 N4 O3
Name8-hydroxy-3,9-dihydro-1H-purine-2,6-dione;
8-hydroxyxanthine
ChEMBLCHEMBL792
DrugBankDB08844
ZINCZINC000002041003
PDB chain4n9s Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4n9s The neutron structure of urate oxidase resolves a long-standing mechanistic conundrum and reveals unexpected changes in protonation.
Resolution1.06 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 score5
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4n9s, PDBe:4n9s, PDBj:4n9s
PDBsum4n9s
PubMed24466188
UniProtQ00511|URIC_ASPFL Uricase (Gene Name=uaZ)

[Back to BioLiP]