Article
Understanding the enzymatic activity of 4-oxalocrotonate tautomerase and its mutant analogues: a computational study.
The journal of physical chemistry. B - 5 Oct 2006
Tuttle Tell, Keinan Ehud, Thiel Walter
Abstract excerpt
The effect of replacing arginine residues (Arg) with citrulline residues (Cit) in the binding site of 4-oxalocrotonate tautomerase (4-OT) was investigated with force field molecular dynamics and hybrid quantum mechanics/molecular mechanics studies. It is found that the Arg61Cit mutation has only minor effects on the k(cat) and K(M) values determined experimentally because of the flexibility of this residue. The...
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