Structure of PDB 3gcf Chain I Binding Site BS02

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 IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain3gcf Chain I Residue 401 [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)		C75 H77 R78 V80 C96 Y98 H99 W101
Binding residue
(residue number reindexed from 1)		C60 H62 R63 V65 C81 Y83 H84 W86
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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