Structure of PDB 6llh Chain B Binding Site BS03

Receptor Information
>6llh Chain B (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 IDBPY
InChIInChI=1S/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H
InChIKeyYKOQAAJBYBTSBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1cccc(c2ccccc2)c1O
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2cccc(c2O)O
ACDLabs 10.04Oc2c(c1ccccc1)cccc2O
FormulaC12 H10 O2
NameBIPHENYL-2,3-DIOL
ChEMBL
DrugBankDB02923
ZINCZINC000000901387
PDB chain6llh Chain B 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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PDB6llh Biphenyl-2,2',3-triol-soaked resting complex of Oxy and Fd in carbazole 1,9a-dioxygenase
Resolution1.99 Å
Binding residue
(original residue number in PDB)		G178 A259 L270 F275 Q282 E284 F329 N330
Binding residue
(residue number reindexed from 1)		G177 A258 L269 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:6llh, PDBe:6llh, PDBj:6llh
PDBsum6llh
PubMed
UniProtQ84II6

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