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Molecular orbital study on the active center of lactate dehydrogenase

✍ Scribed by Jiří Krechl; Josef Kuthan

Publisher
John Wiley and Sons
Year
1982
Tongue
English
Weight
470 KB
Volume
21
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

In the active site of lactate dehydrogenase important roles are given to aminoacids His195 and Arg171. The coenzyme nicotinamide adenine dinucleotide (NAD) is required in oxidized form (NAD^+^) for the enzymatic oxidation of the substrate L‐lactate. Molecular orbital methods CNDO/2, INDO, and EHT were applied to the study of the model of active center of lactate dehydrogenase. An energetically preferred arrangement of the models of His195, Arg171, NAD^+^, and lactate was found. Possible biochemical aspects of these arrangements are discussed.

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