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TitleStructural and Kinetic Analyses Reveal the Dual Inhibition Modes of Ornithine Aminotransferase by (1 S ,3 S )-3-Amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic Acid (BCF 3 ).
Journal, issue, pagesAcs Chem. Biol., Vol. 16, Page 67-75, Year 2021
Publish dateAug 26, 2020 (structure data deposition date)
AuthorsButrin, A. / Beaupre, B.A. / Kadamandla, N. / Zhao, P. / Shen, S. / Silverman, R.B. / Moran, G.R. / Liu, D.
External linksAcs Chem. Biol. / PubMed:33316155
MethodsX-ray diffraction
Resolution1.96 Å
Structure data

PDB-7jx9:
The crystal structure of human ornithine aminotransferase with an intermediate bound during inactivation by (1S,3S)-3-amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic acid.
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

Chemicals

ChemComp-IF1:
(1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid

ChemComp-VLS:
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine / pH buffer*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE inhibitor / ornithine / aminotransferase / PLP / mechanism-based inactivator / intermediate / irreversible inhibitor / TRANSFERASE / TRANSFERASE-TRANSFERASE inhibitor complex

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