Structure of PDB 6llf Chain C Binding Site BS03

Receptor Information
>6llf Chain C (length=388) 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
NEILFESDEAIVAWRKLASEHNQGIQTQAHVSGLEHHH
Ligand information
Ligand IDWBP
InChIInChI=1S/C12H10O3/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,13-15H
InChIKeyUSBNIYMZDQVDSO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1cccc(c1O)c2ccccc2O
OpenEye OEToolkits 2.0.7c1ccc(c(c1)c2cccc(c2O)O)O
FormulaC12 H10 O3
Name3-(2-hydroxyphenyl)benzene-1,2-diol
ChEMBL
DrugBank
ZINCZINC000097608019
PDB chain6llf Chain C 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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PDB6llf Biphenyl-2,2',3-triol-soaked resting complex of Oxy and Fd in carbazole 1,9a-dioxygenase
Resolution1.93 Å
Binding residue
(original residue number in PDB)		A259 I262 L270 V272 F275 Q282 E284 F329 N330
Binding residue
(residue number reindexed from 1)		A258 I261 L269 V271 F274 Q281 E283 F328 N329
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:6llf, PDBe:6llf, PDBj:6llf
PDBsum6llf
PubMed
UniProtQ84II6

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