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MDCSGCSRPG head-to-tail cyclic peptide + Cu(I) no metal constraint - high energy ensemble (B)
Authors
Shoshan, M.S., Shalev, D.E., Tshuva, E.Y.
Assembly
MDCSGCSRPG
Entity
1. MDCSGCSRPG (polymer, Thiol state: all free), 10 monomers, 1012.144 Da Detail

MDCSGCSRPG


Formula weight
1012.144 Da
Entity Connection
peptide 1 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1peptidesing1:MET1:N1:GLY10:C

Exptl. method
SOLUTION NMR
Data set
assigned_chemical_shifts, conformer_family_coord_set
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 98.0 %, Completeness (bb): 100.0 % Detail

Polymer type: polypeptide(L)

Total1H
All98.0 % (48 of 49)98.0 % (48 of 49)
Backbone100.0 % (19 of 19)100.0 % (19 of 19)
Sidechain96.7 % (29 of 30)96.7 % (29 of 30)

1. MDCSGCSRPG

MDCSGCSRPG

Sample

Solvent 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.


#NameIsotope labelingTypeConcentration
1MDCSGCSRPGnatural abundanceprotein4.0 mM
2DMSO[U-2H]solvent mM
3CuClnatural abundance4.0 mM

Release date
2013-03-20
Citation
Peptide models of Cu(I) and Zn(II) metallochaperones: the effect of pH on coordination and mechanistic implications
Shoshan, M.S., Shalev, D.E., Tshuva, E.Y.
Inorg. Chem. (2013), 52, 2993-3000, PubMed 23458158 , DOI 10.1021/ic302404w ,
Experiments performed 3 experiments Detail
Keywords Copper(I), metallochaperones, Peptide model