Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Accurate de novo design of membrane-traversing macrocycles.
Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching
This is conformation A (TT) of the same 8-residue cyclic peptide present in the same NMR sample in 50% d6-DMSO and 50% water. TT symmetric conformation has trans DPR3 and trans DPR7 (7UBF, 50%). CC symmetric conformation has cis DPR3 and cis DPR7 (50%).
6 mg/L peptide, 0.03 % TMS, 50% H2O / 50% DMSO
cyclic peptide in 50% d6-DMSO and 50% H2O
6 mg/mL peptide, 0.03 % TMS, 50% D2O/50% DMSO
Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
Tejero, Snyder, Mao, Aramini, Montelione
cyclic peptide, non natural amino acids, cis/trans, switch peptides, de novo design, membrane permeability, DE NOVO PROTEIN