MDCSGCSRPG head-to-tail cyclic peptide + Cu(I) no metal constraint - high energy ensemble (B)
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | peptide | sing | 1:MET1:N | 1:GLY10:C |
Polymer type: polypeptide(L)
Total | 1H | |
---|---|---|
All | 98.0 % (48 of 49) | 98.0 % (48 of 49) |
Backbone | 100.0 % (21 of 21) | 100.0 % (21 of 21) |
Sidechain | 96.4 % (27 of 28) | 96.4 % (27 of 28) |
1. MDCSGCSRPG
MDCSGCSRPGSolvent system DMSO, Temperature 298 (±0.1) K, Details The peptide was dissolved in triple-distilled water (TDW) at pH 3.0. After lyophilization the apo peptide (2.0 mg, 2.01 umol) was dissolved in DMSO-d6 (500 uL) and was used as a control solution. In a separate flask, the peptide (2.0 mg, 2.01 umol) was dissolved in DMSO-d6 (450 uL) and CuCl was added from a stock solution (50 uL, 40.0 mM) in DMSO-d6, giving a dilution factor of 10 and a final CuCl concentration of 4.0 mM. All work was performed in a nitrogen glove-box. Samples remained colorless throughout the measurement.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MDCSGCSRPG | natural abundance | protein | 4.0 mM |
2 | DMSO | [U-2H] | solvent mM | |
3 | CuCl | natural abundance | 4.0 mM |