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Structure of PDB 4n3m Chain A Binding Site BS01

Receptor Information >4n3m 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 ID AZA InChI InChI=1S/C4H3N5O2/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11) InChIKey KVGVQTOQSNJTJI-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.341 O=C1NC(=O)c2nn[nH]c2N1 OpenEye OEToolkits 1.5.0 c12c([nH]nn1)NC(=O)NC2=O ACDLabs 10.04 O=C2Nc1nnnc1C(=O)N2 Formula C4 H3 N5 O2 Name 8-AZAXANTHINE ChEMBL CHEMBL219341 DrugBank DB01875 ZINC ZINC000018123155 PDB chain 4n3m Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure 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] PDB 4n3m The neutron structure of urate oxidase resolves a long-standing mechanistic conundrum and reveals unexpected changes in protonation. Resolution 1.919 Å Binding residue (original residue number in PDB) F159 R176 S226 V227 Q228 Binding residue (residue number reindexed from 1) F159 R176 S226 V227 Q228 Annotation score 2

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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