Structure of PDB 3vmh Chain E Binding Site BS01

Receptor Information
>3vmh Chain E (length=107) Species: 53412 (Pseudomonas resinovorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QIWLKVCAASDMQPGTIRRVNRVGAAPLAVYRVGDQFYATEDTCTHGIAS
LSEGTLDGDVIECPFHGGAFNVCTGMPASSPCTVPLGVFEVEVKEGEVYV
AGEKKLE
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 chain3vmh Chain E Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vmh Structural insight into the substrate- and dioxygenbinding manner in the catalytic cycle of rieske nonheme iron oxygenase system, carbazole 1,9adioxygenase
Resolution1.85 Å
Binding residue
(original residue number in PDB)		C46 H48 G49 C65 H68 G70
Binding residue
(residue number reindexed from 1)		C44 H46 G47 C63 H66 G68
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.12.22: carbazole 1,9a-dioxygenase.
Gene Ontology
Molecular Function
GO:0008901 ferredoxin hydrogenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0046232 carbazole catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3vmh, PDBe:3vmh, PDBj:3vmh
PDBsum3vmh
PubMed22727022
UniProtQ8GI16|CARAC_PSERE Ferredoxin CarAc (Gene Name=carAc)

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