Structure of PDB 4nbb Chain B Binding Site BS04

Receptor Information
>4nbb Chain B (length=387) 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
AYGEKIVANDVSIWLPGVLKVNPFPNPDMMQFEWYVPIDENTHYYFQTLG
KPCANDEERKKYEQEFESKWKPMALEGFNNDDIWAREAMVDFYADDKGWV
NEILFESDEAIVAWRKLASEHNQGIQTQAHVSGLEHH
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 chain4nbb Chain B Residue 504 [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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PDB4nbb Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		G178 A259 L270 V272 F275 Q282 E284 N330
Binding residue
(residue number reindexed from 1)		G177 A258 L269 V271 F274 Q281 E283 N329
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:4nbb, PDBe:4nbb, PDBj:4nbb
PDBsum4nbb
PubMed24584240
UniProtQ84II6

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