Structure of PDB 3pm5 Chain B Binding Site BS03

Receptor Information
>3pm5 Chain B (length=470) Species: 59406 (Aromatoleum evansii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SERIPNNVNLNENKTLQRALEQWQPSFLNWWDDMGPENSSNYDVYLRTAV
SVDPKGWADFGYVKMHDYRWGIFLAPQEGEKKITFGEHKGQDVWQEVPGE
YRSTLRRIIVTQGDTEPASVEQQRHLGLTAPSLYDLRNLFQVNVEEGRHL
WAMVYLLHAHFGRDGREEGEALLERRSGDEDNPRILTAFNEKTPDWLSFF
MFTFITDRDGKFQLASLAESAFDPLARTCKFMLTEEAHHLFVGESGIARV
IQRTCEVMKELGTDDPAKLRAAGVIDLPTLQKYLNFHYSVTSDLYGAEIS
SNAATYYTNGLKGRFEEEKIGDDHKLQNSEYEVMDVAGDKILTRHVPALS
ALNERLRDDWITDVQAGVDRWNRIPAKFGFDFRFTLPHKGFHRKIGMFAD
VHVSPDGRLISEAEWTHQHKNWLPTESDRLYVHSLMGRCLEPGKFANWIA
APARGINNQPVNFEYVRFNW
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 chain3pm5 Chain B Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3pm5 Structure and Mechanism of the Diiron Benzoyl-Coenzyme A Epoxidase BoxB.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D211 E240 H243
Binding residue
(residue number reindexed from 1)		D207 E236 H239
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.13.208: benzoyl-CoA 2,3-epoxidase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0009056 catabolic process
GO:0010124 phenylacetate catabolic process
Cellular Component
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:3pm5, PDBe:3pm5, PDBj:3pm5
PDBsum3pm5
PubMed21632537
UniProtQ9AIX7|BOXB_AROEV Benzoyl-CoA oxygenase component B (Gene Name=boxB)

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