Structure of PDB 4nbe Chain E Binding Site BS01

Receptor Information
>4nbe Chain E (length=111) Species: 53412 (Pseudomonas resinovorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QIWLKVCAASDMQPGTIRRVNRVGAAPLAVYRVGDQFYATEDTCTHGIAS
LSEGTLDGDVIECPFHGGAFNVCTGMPASSPCTVPLGVFEVEVKEGEVYV
AGEKKLEHHHH
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 chain4nbe Chain E Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4nbe Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase.
Resolution2.1 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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4nbe, PDBe:4nbe, PDBj:4nbe
PDBsum4nbe
PubMed24584240
UniProtQ8GI16|CARAC_PSERE Ferredoxin CarAc (Gene Name=carAc)

[Back to BioLiP]