4X0T

Structure ALDH7A1 inactivated by 4-diethylaminobenzaldehyde and complexed with NAD+

Summary for 4X0T

Entry DOI	10.2210/pdb4x0t/pdb
Related	4X0U
Descriptor	Alpha-aminoadipic semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 4-(diethylamino)benzaldehyde, ... (4 entities in total)
Functional Keywords	aldehyde dehydrogenase, oxidoreductase, lysine catabolism, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm, cytosol . Isoform 1: Mitochondrion : P49419
Total number of polymer chains	4
Total formula weight	225844.14
Authors	Luo, M.,Tanner, J.J. (deposition date: 2014-11-23, release date: 2015-01-14, Last modification date: 2024-10-23)
Primary citation	Luo, M.,Gates, K.S.,Henzl, M.T.,Tanner, J.J. Diethylaminobenzaldehyde Is a Covalent, Irreversible Inactivator of ALDH7A1. Acs Chem.Biol., 10:693-697, 2015 Cited by PubMed Abstract: There is growing interest in aldehyde dehydrogenases (ALDHs) because of their overexpression in cancer stem cells and the ability to mediate resistance to cancer drugs. Here, we report the first crystal structure of an aldehyde dehydrogenase complexed with the inhibitor 4-diethylaminobenzaldehyde (DEAB). Contrary to the widely held belief that DEAB is a reversible inhibitor of ALDHs, we show that DEAB irreversibly inactivates ALDH7A1 via formation of a stable, covalent acyl-enzyme species. PubMed: 25554827 DOI: 10.1021/cb500977q PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.4 Å)

Structure validation