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 4725

Title: Determination of the three dimensional structure and HN--S hydrogen bonding of the synthetic 113Cd3-beta-N 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:
beta n, polymer, 28 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: purified from the natural source

Entity Sequences (FASTA):
beta n: PGPCCKDKCECAEGGCKTGC KCTSCRCA

Data sets:
Data typeCount
1H chemical shifts114
13C chemical shifts41
coupling constants34

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1beta n1
2Cd II2
3Cd III2
4Cd V2

Entities:

Entity 1, beta n 28 residues - Formula weight is not available

1   PROGLYPROCYSCYSLYSASPLYSCYSGLU
2   CYSALAGLUGLYGLYCYSLYSTHRGLYCYS
3   LYSCYSTHRSERCYSARGCYSALA

Entity 2, Cd II - Cd - 112.411 Da.

1   CD

Samples:

sample_1: beta n, [U-99% 113Cd], 4.0 mM

conditions_1: pH: 7.4; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
TOCSY (278, 283, 298 and 313 K),sample_1not availableconditions_1
NOESY (60 and 150 ms at 278 and 298 K)sample_1not availableconditions_1
DQF-COSYsample_1not availableconditions_1
P.E. COSYsample_1not availableconditions_1
1H-113Cd-HSQC-TOCSYsample_1not availableconditions_1
HSEDsample_1not availableconditions_1

Software:

FELIX v97.0 - resonance assignments

NMR spectrometers:

  • Bruker DRX 500 MHz

Related Database Links:

PDB
EMBL CAC42504 CAC80859
SP P29499