Structure of PDB 6f67 Chain A Binding Site BS01

Receptor Information
>6f67 Chain A (length=241) Species: 5325 (Trametes versicolor) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKQITLYTATFSPYAHRVRIALEEAGAEYTTYDVDILRNMPDWFPLVNPL
KKIPAMTFGGPEVPPDQPSPESAKIAESLAMLEFIADLFPDAKLLPTDPV
LRARARTFMALYENYVNGQFRDVWFLGTPADPLLQALEMLQGALPPDGGF
AAGEWSIADAAVIPFLARMFPYLEAGLGLYSKEDGVKMRKAMASERFARI
RQYVRDCRARPSFANTWAGDAEQVEAAKTVPMLRVGEHHHH
Ligand information
Ligand IDCUQ
InChIInChI=1S/C13H10O3/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,14-15H
InChIKeyARWCZKJISXFBGI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1O)C(=O)c2ccccc2
OpenEye OEToolkits 2.0.6c1ccc(cc1)C(=O)c2ccc(c(c2)O)O
FormulaC13 H10 O3
Name[3,4-bis(oxidanyl)phenyl]-phenyl-methanone
ChEMBLCHEMBL2094324
DrugBank
ZINCZINC000000262158
PDB chain6f67 Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6f67 Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor.
Resolution2.398 Å
Binding residue
(original residue number in PDB)		P16 Y17 F123 W127 F128 R171
Binding residue
(residue number reindexed from 1)		P13 Y14 F120 W124 F125 R168
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.18: glutathione transferase.
Gene Ontology
Molecular Function
GO:0004364 glutathione transferase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:6f67, PDBe:6f67, PDBj:6f67
PDBsum6f67
PubMed29855494
UniProtA0A384E145

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