Structure of PDB 6ht6 Chain B Binding Site BS02

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 IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6ht6 Chain B 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)
D125 E131
Binding residue
(residue number reindexed from 1)
D123 E129
Annotation score4
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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