Structure of PDB 6ll4 Chain B Binding Site BS03

Receptor Information
>6ll4 Chain B (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
AYGEKIVANDISIWLPGVLKVNPFPNPDMMQFEWYVPIDENTHYYFQTLG
KPCANDEERKKYEQEFESKWKPMALEGFNNDDIWAREAMVDFYADDKGWV
NEILFESDEAIVAWRKLASEHNQGIQTQAHVSG
Ligand information
Ligand ID9G0
InChIInChI=1S/C12H11NO2/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,14-15H,13H2
InChIKeyWPDDFIBFWKUENN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1ccccc1c2cccc(O)c2O
ACDLabs 12.01Nc1c(cccc1)c2cccc(O)c2O
OpenEye OEToolkits 2.0.6c1ccc(c(c1)c2cccc(c2O)O)N
FormulaC12 H11 N O2
Name2'-amino[1,1'-biphenyl]-2,3-diol
ChEMBL
DrugBank
ZINCZINC000000897377
PDB chain6ll4 Chain B Residue 403 [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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PDB6ll4 Oxygen-exposed carbazole-soaked reduced terminal oxygenase of carbazole 1,9a-dioxygenase with
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H183 I184 H187 A259 V272 F275 Q282 F329 N330 D333
Binding residue
(residue number reindexed from 1)		H182 I183 H186 A258 V271 F274 Q281 F328 N329 D332
Annotation score1
Enzymatic activity
Enzyme Commision number ?
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:6ll4, PDBe:6ll4, PDBj:6ll4
PDBsum6ll4
PubMed
UniProtQ84II6

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