Structure of PDB 3vmg Chain B Binding Site BS03

Receptor Information
>3vmg Chain B (length=389) Species: 213804 (Janthinobacterium sp. J3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MANVDEAILKRVKGWAPYVDAKLGFRNHWYPVMFSKEINEGEPKTLKLLG
ENLLVNRIDGKLYCLKDRCLHRGVQLSVKVECKTKSTITCWYHAWTYRWE
DGVLCDILTNPTSAQIGRQKLKTYPVQEAKGCVFIYLGDGDPPPLARDTP
PNFLDDDMEILGKNQIIKSNWRLAVENGFDPSHIYIHKDSILVKDNDLAL
PLGFAPGGDRKQQTRVVDDDVVGRKGVYDLIGEHGVPVFEGTIGGEVVRE
GAYGEKIVANDISIWLPGVLKVNPFPNPDMMQFEWYVPIDENTHYYFQTL
GKPCANDEERKKYEQEFESKWKPMALEGFNNDDIWAREAMVDFYADDKGW
VNEILFESDEAIVAWRKLASEHNQGIQTQAHVSGLEHHH
Ligand information
Ligand ID9CA
InChIInChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
InChIKeyUJOBWOGCFQCDNV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[nH]1c2ccccc2c3ccccc13
ACDLabs 10.04c1cccc3c1c2c(cccc2)n3
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c3ccccc3[nH]2
FormulaC12 H9 N
Name9H-CARBAZOLE
ChEMBLCHEMBL243580
DrugBankDB07301
ZINCZINC000100009863
PDB chain3vmg Chain B Residue 2001 [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]
PDB3vmg Structural insight into the substrate- and dioxygenbinding manner in the catalytic cycle of rieske nonheme iron oxygenase system, carbazole 1,9adioxygenase
Resolution1.95 Å
Binding residue
(original residue number in PDB)		G178 H183 I184 I262 L270 V272 F275 Q282 E284
Binding residue
(residue number reindexed from 1)		G178 H183 I184 I262 L270 V272 F275 Q282 E284
Annotation score5
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:3vmg, PDBe:3vmg, PDBj:3vmg
PDBsum3vmg
PubMed22727022
UniProtQ84II6

[Back to BioLiP]