5AC1

Sheep aldehyde dehydrogenase 1A1 with duocarmycin analog inhibitor

Summary for 5AC1

• Entry DOI: 10.2210/pdb5ac1/pdb
• Related: 5ABM 5AC0 5AC2
• Descriptor: RETINAL DEHYDROGENASE 1, 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate, ... (5 entities in total)
• Functional Keywords: oxidoreductase, oxidation-reduction process, aldehyde dehydrogenase activity
• Biological source: OVIS ARIES (SHEEP)
• Total number of polymer chains: 4
• Total formula weight: 223498.97

Authors

Koch, M.F.,Harteis, S.,Blank, I.D.,Pestel, G.,Tietze, L.F.,Ochsenfeld, C.,Schneider, S.,Sieber, S.A. (deposition date: 2015-08-11, release date: 2015-08-26, Last modification date: 2024-01-10)

• Primary citation: Koch, M.F.,Harteis, S.,Blank, I.D.,Pestel, G.,Tietze, L.F.,Ochsenfeld, C.,Schneider, S.,Sieber, S.A.; Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues.; Angew.Chem.Int.Ed.Engl., 54:13550-, 2015; PubMed: 26373694; DOI: 10.1002/ANIE.201505749

Experimental method

X-RAY DIFFRACTION (2.08 Å)