4.2.3.B35 | more |
modeling of the protein-ligand complex structure of fungal, bifunctional aphidicolan-16-beta-ol synthase, molecular dynamic studies, only the ACS alpha-domain sequence is used for homology prediction. The catalytically relevant ACS amino acid network includes residues I626, T657, Y658, A786, F789, and Y923. The initial conversion from the universal diterpene precursor GGDP to syn-CDP occurs in class II active site, located between the ACS beta- and gamma-domain. The subsequent syn-CDP cyclization to aphidicolan-16beta-ol is then conducted in the class I active site that is positioned in the middle of an alpha-helical bundle forming the ACS alpha-domain |
747838 |