BMRB

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 21028

Title: MDCSGCSRPG-Zn-water complex from acidic conditions   PubMed: 23458158

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+Zn-H2O_acidic, polymer, 10 residues, Formula weight is not available
20-OXO-PROTOPORPHYRIN IX CONTAINING ZN(II), non-polymer, 642.051 Da.
WATER, water, 18.015 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):
MDCSGCSRPG+Zn-H2O_acidic: MDCSGCSRPG

Data sets:
Data typeCount
1H chemical shifts48

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1MDCSGCSRPG1
2Zn(II)2
3H2O3

Entities:

Entity 1, MDCSGCSRPG 10 residues - Formula weight is not available

1   METASPCYSSERGLYCYSSERARGPROGLY

Entity 2, Zn(II) - C34 H32 N4 O5 Zn - 642.051 Da.

1   ZEM

Entity 3, H2O - 18.015 Da.

1   HOH

Samples:

sample_1: MDCSGCSRPG 4.0 mM; ZnCl2 4.0 mM; DMSO, [U-2H], 90%; H2O 10%

sample_conditions_1: pH*: 3.0; temperature: 298 K

Experiments:

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

Software:

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

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