Structure of PDB 3chu Chain A Binding Site BS01

Receptor Information
>3chu Chain A (length=294) Species: 66431 (Streptomyces thioluteus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSATLGRLVRAWPRRAAVVNKADILDEWADYDTLVPDYPLEIVPFAEHPL
FLAAEPHQRQRVLTGMWIGYNERVIATEQLIAEPAFDLVMHGVFPGSDDP
LIRKSVQQAIVDESFHTYMHMLAIDRTRELRKIPELVTYRRLRRVLADMP
EQWERDIAVLVWGAVAETCINALLALLARDATIQPMHSLITTLHLRDETA
HGSIVVEVVRELYARMNEQQRRALVRCLPIALEAFAEQDLSALLLELNAA
GIRGAEEIVGDLRLVRDFSGARKMVEQLGLDDAVDFDFPERPDW
Ligand information
Ligand IDFEO
InChIInChI=1S/2Fe.O
InChIKeyNPMYUMBHPJGBFA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Fe]O[Fe]
OpenEye OEToolkits 1.5.0O([Fe])[Fe]
FormulaFe2 O
NameMU-OXO-DIIRON
ChEMBL
DrugBank
ZINC
PDB chain3chu Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3chu In vitro reconstitution and crystal structure of p-aminobenzoate N-oxygenase (AurF) involved in aureothin biosynthesis.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E101 E136 H139 E196 H223 E227 H230
Binding residue
(residue number reindexed from 1)		E78 E113 H116 E167 H194 E198 H201
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.99.68: 4-aminobenzoate N-oxygenase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3chu, PDBe:3chu, PDBj:3chu
PDBsum3chu
PubMed18458342
UniProtQ70KH9|AURF_STRTU 4-aminobenzoate N-oxygenase (Gene Name=aurF)

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