Structure of PDB 6ht6 Chain B Binding Site BS01

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 A Residue 301 [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)		L82 A83
Binding residue
(residue number reindexed from 1)		L80 A81
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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