7TED

Human Ornithine Aminotransferase cocrystallized with its inhibitor, (S,E)-3-amino-4-(fluoromethylene)cyclopent-1-ene-1-carboxylate

Summary for 7TED

Entry DOI	10.2210/pdb7ted/pdb
Descriptor	Ornithine aminotransferase, mitochondrial, (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid, PYRIDOXAL-5'-PHOSPHATE, ... (4 entities in total)
Functional Keywords	human ornithine aminotransferase, hoat, oat, mechanism-based inhibitor, mbi, irreversible inhibitor, inactivator, transferase, transferase-inhibitor complex, transferase/inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	9
Total formula weight	407096.50
Authors	Butrin, A.,Zhu, W.,Silverman, R.,Liu, D. (deposition date: 2022-01-04, release date: 2022-04-06, Last modification date: 2023-10-18)
Primary citation	Zhu, W.,Butrin, A.,Melani, R.D.,Doubleday, P.F.,Ferreira, G.M.,Tavares, M.T.,Habeeb Mohammad, T.S.,Beaupre, B.A.,Kelleher, N.L.,Moran, G.R.,Liu, D.,Silverman, R.B. Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase. J.Am.Chem.Soc., 144:5629-5642, 2022 Cited by PubMed: 35293728 DOI: 10.1021/jacs.2c00924 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.63 Å)

Structure validation