The substrate specificity and the catalytic mechanism of N-carbamyl-d-amino acid amidohydrolase: A theoretical investigation

The docking studies predict that Gly194 and Arg174 may take part in the catalytic mechanism, and Glu136 is essential to maintain the stable conformation. The initial step of the acylation reaction catalyzed by d-NCAase has been studied and furthermore demonstrated that Lys126, His143, and Asn196 lower the reaction barrier, while Asn172 raise the barrier.