Structure of PDB 3fe5 Chain A Binding Site BS01

Receptor Information
>3fe5 Chain A (length=283) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERPVRVKAWVEENRGSFLPPVCNKLLHQKQLKIMFVGGPNTRKDYHIEEG
EEVFYQLEGDMLLRVLERGKHRDVVIRQGEIFLLPAGVPHSPQRFANTVG
LVIERRRLKTELDGLRYYVGDTTDVLFEKWFYCEDLGTQLAPIIQEFFSS
EQYRTGKPNPDQLLKEPPFPLSTRSVMEPMCLEAWLDGHRKELQAGTPLS
LFGDTYESQVMVHGQGSSEGLRRDVDVWLWQLEGSSVVTMEGQRLSLTLD
DSLLVPAGTLYGWERGQGSVALSVTQDPACKKS
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain3fe5 Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fe5 Crystal structure of bovine 3-hydroxyanthranilate 3,4-dioxygenase.
Resolution2.51 Å
Binding residue
(original residue number in PDB)		H47 E53 H91
Binding residue
(residue number reindexed from 1)		H46 E52 H90
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.6: 3-hydroxyanthranilate 3,4-dioxygenase.
Gene Ontology
Molecular Function
GO:0000334 3-hydroxyanthranilate 3,4-dioxygenase activity
GO:0005506 iron ion binding
GO:0008198 ferrous iron binding
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0006569 tryptophan catabolic process
GO:0009435 NAD biosynthetic process
GO:0019363 pyridine nucleotide biosynthetic process
GO:0019805 quinolinate biosynthetic process
GO:0034354 'de novo' NAD biosynthetic process from tryptophan
GO:0043420 anthranilate metabolic process
GO:0046874 quinolinate metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3fe5, PDBe:3fe5, PDBj:3fe5
PDBsum3fe5
PubMed19226621
UniProtQ0VCA8|3HAO_BOVIN 3-hydroxyanthranilate 3,4-dioxygenase (Gene Name=HAAO)

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