[buster-discuss] amide bond restraints
wtempel at gmail.com
Mon Apr 11 22:01:05 CEST 2016
I would like to restrain the amide bonds within an oligo peptide that
contains several “non-standard” amino acids, such as ELY (NZ,NZ-diethyl
lysine) and a C-terminal 5R5 (serine methyl ester). In addition, the
peptide is N-terminally p-t-butyl-benzoyl (5R0) protected, as seen, for
example, in PDB entry 5EQ0
<http://www.rcsb.org/pdb/explore/explore.do?structureId=5EQ0>. I have
prepared restraints for residues 5R0, 5R5, ELY. I found the tutorial on
covalently bound modifiers
covers modifications at side chains of standard amino acid residues and
therefore does not quite capture my use case. Any suggestions?
Thank you in advance.
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