Structure of PDB 3gcf Chain I Binding Site BS01

Receptor Information
>3gcf Chain I (length=367) Species: 200618 (Nocardioides aromaticivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAQVKWPRYLEATLGFDNHWHPAAFDHELAEGEFVAVTMLGEKVLLTRAK
GEVKAIADGCAHRGVPFSKEPLCFKAGTVSCWYHGWTYDLDDGRLVDVLT
SPGSPVIGKIGIKVYPVQVAQGVVFVFIGDEEPHALSEDLPPGFLDEDTH
LLGIRRTVQSNWRLGVENGFDTTHIFMHRNSPWVSGNRLAFPYGFVPADR
DAMQVYDENWPKGVLDRLSENYMPVFEATLDGETVLSAELTGEEKKVAAQ
VSVWLPGVLKVDPFPDPTLIQYEFYVPISETQHEYFQVLQRKVEGPEDVK
TFEVEFEERWRDDALHGFNDDDVWAREAQQEFYGERDGWSKEQLFPPDMC
IVKWRTLASERGRGVRA
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain3gcf Chain I Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3gcf Specific Interactions between the ferredoxin and terminal oxygenase components of a class IIB Rieske nonheme iron oxygenase, carbazole 1,9a-dioxygenase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H189 H193 D337
Binding residue
(residue number reindexed from 1)		H174 H178 D322
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
GO:0051537 2 iron, 2 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:3gcf, PDBe:3gcf, PDBj:3gcf
PDBsum3gcf
PubMed19616558
UniProtQ2HWI0

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