Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 21024

Title: MDCSGCSRPG cyclic peptide bound to Cu(I) from acidic conditions   PubMed: 23458158

Deposition date: 2012-08-02 Original release date: 2013-03-22

Authors: Shoshan, Michal; Shalev, Deborah; Tshuva, Edit

Citation: Shoshan, Michal; Shalev, Deborah; Tshuva, Edit. "Peptide Models of Cu(I) and Zn(II) Metallochaperones: The Effect of pH on Coordination and Mechanistic Implications."  Inorg. Chem. 52, 2993-3000 (2013).

Assembly members:
MDCSGCSRPG+Cu, polymer, 10 residues, 1013.144 Da.
COPPER (I) ION, non-polymer, 63.546 Da.

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):

Data sets:
Data typeCount
1H chemical shifts48

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Entity Assembly IDEntity NameEntity ID


Entity 1, MDCSGCSRPG 10 residues - 1013.144 Da.


Entity 2, Cu(I) - Cu - 63.546 Da.

1   CU1


sample_1: MDCSGCSRPG 4.0 mM; DMSO, [U-2H], solvent mM; CuCl 4.0 mM

sample_conditions_1: pH*: 3.0; temperature: 298 K


NameSampleSample stateSample conditions
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1


TOPSPIN v1.3, Bruker Biospin, Chimera UCSF, Goddard, Koradi, Billeter and Wuthrich, Schwieters, Kuszewski, Tjandra and Clore - chemical shift assignment, collection, data analysis, peak picking, processing, refinement, structure solution

NMR spectrometers:

  • Bruker AVANCE DMX 600 MHz