BMRB Entry 4684

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4684

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Title:
Three-Dimensional Solution Structure of the Isolated Cd4-alpha Domain of Metallothionein 2. Determination by Homonuclear and Heteronuclear Magnetic Resonance Spectroscopy
Deposition date:
2000-03-09
Original release date:
2003-08-27
Authors:
Ejnik, John; Munoz, Amalia; DeRose, Eugene; Shaw, C.; Petering, David
Citation:

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).
PubMed: 12859185

Assembly members:

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

Natural source:

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

Experimental source:

Experimental source:   Production method: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Metallothionein: KKSCCSCCPPGCAKCAQGCI CKGASDKCSCCA

Data sets:
Data typeCount
1H chemical shifts167
coupling constants60

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1alpha domain1
2Cd I2
3Cd V2
4Cd VI2
5Cd VII2

Entities:

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

1   LYSLYSSERCYSCYSSERCYSCYSPROPRO
2   GLYCYSALALYSCYSALAGLNGLYCYSILE
3   CYSLYSGLYALASERASPLYSCYSSERCYS
4   CYSALA

Entity 2, Cd I - Cd - 112.411 Da.

1   CD

Samples:

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

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

Experiments:

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

Software:

Felix v2.3 - processing and peak assignments

NMR spectrometers:

  • GE GN 500 MHz

Related Database Links:

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