Structure of PDB 6ht6 Chain B Binding Site BS03

Receptor Information
>6ht6 Chain B (length=230) Species: 5325 (Trametes versicolor) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CTEQITLYTTTFSPYGHRAHIALEEAGAEYTLCQINVHRDKPEWYKRVNP
LGKVPAITFGGPQVPPDEPSPESEKLVESLALLEFVADVFPEAKLLPASP
VQRARARAFIAIYQNYLHDQFRDAFFRGEPVGPFLQALETLQSALPPAGF
AVGEWSLAEAAVAPFLARMMLYLDAGLGKYSEADGETMRAALASERFARI
SQYVRDIRARASFVKSWGGDDVQLEAAKAI
Ligand information
Ligand IDCUT
InChIInChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H
InChIKeyZXDDPOHVAMWLBH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)C(=O)c2ccc(cc2O)O
CACTVS 3.385Oc1ccc(c(O)c1)C(=O)c2ccccc2
FormulaC13 H10 O3
Name[2,4-bis(oxidanyl)phenyl]-phenyl-methanone
ChEMBLCHEMBL1392
DrugBank
ZINCZINC000000225430
PDB chain6ht6 Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ht6 Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor.
Resolution2.671 Å
Binding residue
(original residue number in PDB)		E86 R109 I112 A113 Q116 N117
Binding residue
(residue number reindexed from 1)		E84 R107 I110 A111 Q114 N115
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:6ht6, PDBe:6ht6, PDBj:6ht6
PDBsum6ht6
PubMed29855494
UniProtA0A452CSY5

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