Hi all,
Has anyone tried simulating lantibiotics? The best-known is nisin, but
there is a whole family of them. They have a large number of modified
amino acids, such as lanthionine (dehydroalanine), methyl-lanthionine,
Asp with an extra OH-group attached to the Ca etc., D-alanine, plus
several interesting cross links between the modified amino acids
consisting of a single S atom. They may also be cyclic (in mine, through
lysinoalanine). I'm wondering if someone has tried making input files
for pdb2gmx for these residues and post-translational modifications and
if so is willing to share them.
Cheers,
Peter
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