Structure of PDB 4nbe Chain A Binding Site BS03

Receptor Information
>4nbe Chain A (length=383) 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
NEILFESDEAIVAWRKLASEHNQGIQTQAHVSG
Ligand information
Ligand ID9FL
InChIInChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2
InChIKeyNIHNNTQXNPWCJQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C1c2ccccc2c3ccccc13
ACDLabs 12.01c1cccc3c1c2c(cccc2)C3
OpenEye OEToolkits 1.7.6c1ccc-2c(c1)Cc3c2cccc3
FormulaC13 H10
Name9H-fluorene
ChEMBLCHEMBL16236
DrugBank
ZINCZINC000000968333
PDB chain4nbe Chain A Residue 503 [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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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)		I184 A259 I262 L270 V272 W275 E284 F329 N330
Binding residue
(residue number reindexed from 1)		I183 A258 I261 L269 V271 W274 E283 F328 N329
Annotation score1
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:4nbe, PDBe:4nbe, PDBj:4nbe
PDBsum4nbe
PubMed24584240
UniProtQ84II6

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