Low-frequency normal modes in horse liver alcohol dehydrogenase and motions of residues involved in the enzymatic reaction.
Normal mode analysis using the elastic network model has provided characteristics and directions of the low-frequency large domain motions of horse liver alcohol dehydrogenase. Three normal modes (mode 1, mode 7, and mode 8) were identified as representative domain motions that may promote the onset of Near Attack Conformers or facilitate the product to be released. The pattern of the atomic displacement for some key residues (such as Val292 and Val203) revealed in this study is in line with experimental structural and kinetic studies and theoretical simulations.
Luo
Jia
J
Department of Chemistry, University of California at Santa Barbara, Santa Barbara, CA 93106, USA.
Bruice
Thomas C
TC
D000426:Alcohol Dehydrogenase / Q000737:chemistry*; D000595:Amino Acid Sequence; D000818:Animals; D002384:Catalysis; D004548:Elasticity; D006736:Horses; D008099:Liver / Q000201:enzymology*; D008958:Models, Molecular; D008969:Molecular Sequence Data; D009038:Motion; D017434:Protein Structure, Tertiary
D000426:Alcohol Dehydrogenase