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 4754

Title: Determination of the three dimensional structure of the synthetic 113Cd3-beta-C domain of lobster MT-1 by Nuclear Magnetic Resonance   PubMed: 12203008

Authors: Munoz, Amalia; Forsterling, F.; Shaw, C.; Petering, David

Citation: Munoz, Amalia; Forsterling, F.; Shaw, C.; Petering, David. "Structure of the 113Cd3 Beta Domains from Homarus americanus Metallothionein-1: Hydrogen bonding and Solvent Accessibility of Sulfur Atoms"  J. Biol. Inorg. Chem. 7, 713-724 (2002).

Assembly members:
metallothionein, polymer, 30 residues, Formula weight is not available
CD, non-polymer, 112.411 Da.

Natural source:   Common Name: lobster   Taxonomy ID: 6706   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homarus americanus

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
metallothionein: PCEKCTSGCKCPSKDECAKT CSKPCSCCPT

Data typeCount
1H chemical shifts166

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1beta c1
2Cd I2
3Cd IV2
4Cd VI2

Entities:

Entity 1, beta c 30 residues - Formula weight is not available

1   PROCYSGLULYSCYSTHRSERGLYCYSLYS
2   CYSPROSERLYSASPGLUCYSALALYSTHR
3   CYSSERLYSPROCYSSERCYSCYSPROTHR

Entity 2, Cd I - Cd - 112.411 Da.

1   CD

Samples:

sample_1: metallothionein, [U-99% 113Cd], 1.0 – 2.0 mM

Ex_cond_1: pH: 7.6; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
TOCSYsample_1not availableEx_cond_1
NOESY (100, 200, 300 ms)sample_1not availableEx_cond_1
DQF-COSYsample_1not availableEx_cond_1
P.E. COSYsample_1not availableEx_cond_1
1H-113Cd-HSQC-TOCSYsample_1not availableEx_cond_1

Software:

FELIX v97.0 - resonance assignments

NMR spectrometers:

  • Bruker DRX 500 MHz

Related Database Links:

PDB
SWISS-PROT P29499