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TitleIrreversible Inhibition of Glutathione S-Transferase by Phenethyl Isothiocyanate (PEITC), a Dietary Cancer Chemopreventive Phytochemical.
Journal, issue, pagesPlos One, Vol. 11, Page e0163821-e0163821, Year 2016
Publish dateApr 15, 2016 (structure data deposition date)
AuthorsKumari, V. / Dyba, M.A. / Holland, R.J. / Liang, Y.H. / Singh, S.V. / Ji, X.
External linksPlos One / PubMed:27684484
MethodsX-ray diffraction
Resolution1.93 - 1.945 Å
Structure data

PDB-5jcu:
Crystal Structure of hGSTA1-1 with Glutathione Adduct of Phenethyl Isothiocyanate and Cystein Adduct of Phenethyl Isothiocyanate
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-5jcw:
Crystal Structure of hGSTP1-1 with Glutathione Adduct of Phenethyl Isothiocyanate
Method: X-RAY DIFFRACTION / Resolution: 1.945 Å

Chemicals

ChemComp-GVX:
L-gamma-glutamyl-S-[(2-phenylethyl)carbamothioyl]-L-cysteinylglycine

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-ACT:
ACETATE ION

ChemComp-CA:
Unknown entry

ChemComp-GSH:
GLUTATHIONE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / GST / PEITC / Glutathione adduct / Cyctein adduct

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