Structure of PDB 6f71 Chain B Binding Site BS01

Receptor Information

>6f71 Chain B (length=240) Species: 5325 (Trametes versicolor)

AQKRITLYMASASPFPHRVRLALEEAHATYEMIHISLVDKQDWYQKKVYP
DRAQVPYLIYGGPELHPDEAPSPDAAKIPESLVILEFLADLFPAAHLLPS
DPVLRARARLFTTAVETELLPAQKAFFLMGGPPDAMLAALDALQARLPPA
GGFAAGPQWSIADAAVMPILLRLRMSVTLEVGFFAPGAAPVVRAALESPR
FARLQRYIADNVARPSMAATWDEAAVKAEFVGRFEKLRSL

Ligand information

• Ligand ID: CWE
• InChI: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1
• InChIKey: FTVWIRXFELQLPI-CYBMUJFWSA-N
• SMILES:
  CACTVS 3.385: Oc1ccc(cc1)[C@H]2CC(=O)c3c(O)cc(O)cc3O2
  OpenEye OEToolkits 2.0.6: c1cc(ccc1[C@H]2CC(=O)c3c(cc(cc3O2)O)O)O
  OpenEye OEToolkits 2.0.6: c1cc(ccc1C2CC(=O)c3c(cc(cc3O2)O)O)O
  CACTVS 3.385: Oc1ccc(cc1)[CH]2CC(=O)c3c(O)cc(O)cc3O2
• Formula: C15 H12 O5
• Name: R-naringenin
• ZINC: ZINC000000001785
• PDB chain: 6f71 Chain A Residue 300

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6f71 Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor.
• Resolution: 2.301 Å
• Binding residue (original residue number in PDB): L84 V85
• Binding residue (residue number reindexed from 1): L82 V83
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.5.1.18: glutathione transferase.

Gene Ontology

Molecular Function

• GO:0004364 glutathione transferase activity

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6f71, PDBe:6f71, PDBj:6f71
• PDBsum: 6f71
• PubMed: 29855494
• UniProt: A0A384E158