Structure of PDB 4nbd Chain A Binding Site BS03

Receptor Information

>4nbd Chain A (length=384) Species: 213804 (Janthinobacterium sp. J3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ANVDEAILKRVKGWAPYVDAKLGFRNHWYPVMFSKEINEGEPKTLKLLGE
NLLVNRIDGKLYCLKDRCLHRGVQLSVKVECKTKSTITCWYHAWTYRWED
GVLCDILTNPTSAQIGRQKLKTYPVQEAKGCVFIYLGDGDPPPLARDTPP
NFLDDDMEILGKNQIIKSNWRLAVENGFDPSHIYIHKDSILVKDNDLALP
LGFAPGGDRKQQTRVVDDDVVGRKGVYDLIGEHGVPVFEGTIGGEVVREG
AYGEKIVANDISIWLPGVLKVNPWPNPDMMQFEWYVPIDENTHYYFQTLG
KPCANDEERKKYEQEFESKWKPMALEGFNNDDIWAREAMVDFYADDKGWV
NEILFESDEAIVAWRKLASEHNQGIQTQAHVSGL

Ligand information

Ligand ID

9CA

InChI

InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H

InChIKey

UJOBWOGCFQCDNV-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[nH]1c2ccccc2c3ccccc13
ACDLabs 10.04	c1cccc3c1c2c(cccc2)n3
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c3ccccc3[nH]2

Formula

C12 H9 N

Name

9H-CARBAZOLE

PDB chain

4nbd Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4nbd Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase.
Resolution	1.95 Å
Binding residue (original residue number in PDB)	I184 A259 I262 L270 W275
Binding residue (residue number reindexed from 1)	I183 A258 I261 L269 W274
Annotation score	5

Enzymatic activity

Enzyme Commision number

1.14.12.22: carbazole 1,9a-dioxygenase.

Gene Ontology

	Molecular Function
GO:0046872	metal ion binding
GO:0051537	2 iron, 2 sulfur cluster binding

View graph for
Molecular Function

External links

PDB	RCSB:4nbd, PDBe:4nbd, PDBj:4nbd
PDBsum	4nbd
PubMed	24584240
UniProt	Q84II6

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