1LLU

THE TERNARY COMPLEX OF PSEUDOMONAS AERUGINOSA ALCOHOL DEHYDROGENASE WITH ITS COENZYME AND WEAK SUBSTRATE

Summary for 1LLU

• Entry DOI: 10.2210/pdb1llu/pdb
• Related: 1YKF
• Descriptor: Alcohol Dehydrogenase, ZINC ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... (5 entities in total)
• Functional Keywords: enzyme-coenzyme-substrate complex, proton relay system, nadh, alcohol dehydrogenase, oxidoreductase
• Biological source: Pseudomonas aeruginosa
• Total number of polymer chains: 8
• Total formula weight: 294452.20

Authors

Levin, I.,Meiri, G.,Peretz, M.,Frolow, F.,Burstein, Y. (deposition date: 2002-04-30, release date: 2003-11-11, Last modification date: 2023-08-16)

Primary citation

Levin, I.,Meiri, G.,Peretz, M.,Burstein, Y.,Frolow, F.
The ternary complex of Pseudomonas aeruginosa alcohol dehydrogenase with NADH and ethylene glycol.
Protein Sci., 13:1547-1556, 2004

PubMed Abstract: Pseudomonas aeruginosa alcohol dehydrogenase (PaADH; ADH, EC 1.1.1.1) catalyzes the reversible oxidation of primary and secondary alcohols to the corresponding aldehydes and ketones, using NAD as coenzyme. We crystallized the ternary complex of PaADH with its coenzyme and a substrate molecule and determined its structure at a resolution of 2.3 A, using the molecular replacement method. The PaADH tetramer comprises four identical chains of 342 amino acid residues each and obeys ~222-point symmetry. The PaADH monomer is structurally similar to alcohol dehydrogenase monomers from vertebrates, archaea, and bacteria. The stabilization of the ternary complex of PaADH, the coenzyme, and the poor substrate ethylene glycol (k(cat) = 4.5 sec(-1); Km > 200 mM) was due to the blocked exit of the coenzyme in the crystalline state, combined with a high (2.5 M) concentration of the substrate. The structure of the ternary complex presents the precise geometry of the Zn coordination complex, the proton-shuttling system, and the hydride transfer path. The ternary complex structure also suggests that the low efficiency of ethylene glycol as a substrate results from the presence of a second hydroxyl group in this molecule.

PubMed: 15152088
DOI: 10.1110/ps.03531404

Experimental method

X-RAY DIFFRACTION (2.3 Å)