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 4684

Title: Three-Dimensional Solution Structure of the Isolated Cd4-alpha Domain of Metallothionein 2. Determination by Homonuclear and Heteronuclear Magnetic Resonance Spectroscopy   PubMed: 12859185

Deposition date: 2000-03-09 Original release date: 2003-08-27

Authors: Ejnik, John; Munoz, Amalia; DeRose, Eugene; Shaw, C.; Petering, David

Citation: Ejnik, John; Munoz, Amalia; DeRose, Eugene; Shaw, C.; Petering, David. "Structural Consequences of Metallothionein Dimerization: Solution Structure of the Isolated Cd4-alpha Domain and Comparison with the Holoprotein Dimer"  Biochemistry 42, 8403-8410 (2003).

Assembly members:
Metallothionein, polymer, 32 residues, Formula weight is not available
CD, non-polymer, 112.411 Da.

Natural source:   Common Name: New Zeland White Rabbit   Taxonomy ID: 9986   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Oryctolagus cuniculus

Experimental source:   Production method: purified from the natural source

Entity Sequences (FASTA):

Data sets:
Data typeCount
1H chemical shifts167
coupling constants60

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Entity Assembly IDEntity NameEntity ID
1alpha domain1
2Cd I2
3Cd V2
4Cd VI2
5Cd VII2


Entity 1, alpha domain 32 residues - Formula weight is not available


Entity 2, Cd I - Cd - 112.411 Da.

1   CD


sample_1: Metallothionein, [U-99.5% 111Cd], 3 mM

Ex-cond_1: pH: 7.0; temperature: 298 K; pressure: 1 atm


NameSampleSample stateSample conditions
DQF COSYsample_1not availableEx-cond_1
PE COSYsample_1not availableEx-cond_1
TOCSY MLEV-17 (41 ms and 80 ms)sample_1not availableEx-cond_1
1H-111Cd HMQCsample_1not availableEx-cond_1
NOESY (60 ms,120 ms and 250 ms) for 10% D2Osample_1not availableEx-cond_1
NOESY (50 ms and 100 ms) for 100% D2Osample_1not availableEx-cond_1


Felix v2.3 - processing and peak assignments

NMR spectrometers:

  • GE GN 500 MHz

Related Database Links:

GB AAB21306 ELW66183
REF XP_002711575 XP_004057727 XP_006148462 XP_006179841 XP_006179844
SP P18055 P80290
AlphaFold P18055 P80290