Computational studies of NRPS substrate specificity

Active site of NRPS A domains

Regions involved in conferring substrate specificity among fungal NRPS A domains

Today, our lab in collaboration with the lab of Christian Storm Pedersen at the BiRC bioinformatics centre, published a paper in Bioinformatics describing a novel computational analysis of the substrate conferring code of fungal non-ribosomal peptide synthetase (NRPS) A domains, which are responsible for recognising and activating the individual amino acid substrates during peptide synthesis. We can show that a much larger part of the A domain than hitherto imagined is involved in conferring substrate specificity, and could map this to the structure of the A domain.

For more information, have a look at the paper in Bioinformatics.

Knudsen, M., Søndergaard, D., Tofting-Olesen, C., Hansen, F.,T., Brodersen, D. E., Pedersen, C. N. (2015) “Computational discovery of specificity-conferring sites in non-ribosomal peptide synthetases”, Bioinformatics, 32(3):325-9.