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 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):
Metallothionein: KKSCCSCCPPGCAKCAQGCI
CKGASDKCSCCA
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 167 |
| coupling constants | 60 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | alpha domain | 1 |
| 2 | Cd I | 2 |
| 3 | Cd V | 2 |
| 4 | Cd VI | 2 |
| 5 | Cd VII | 2 |
Entities:
Entity 1, alpha domain 32 residues - Formula weight is not available
| 1 | LYS | LYS | SER | CYS | CYS | SER | CYS | CYS | PRO | PRO | ||||
| 2 | GLY | CYS | ALA | LYS | CYS | ALA | GLN | GLY | CYS | ILE | ||||
| 3 | CYS | LYS | GLY | ALA | SER | ASP | LYS | CYS | SER | CYS | ||||
| 4 | CYS | ALA |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| DQF COSY | sample_1 | not available | Ex-cond_1 |
| PE COSY | sample_1 | not available | Ex-cond_1 |
| TOCSY MLEV-17 (41 ms and 80 ms) | sample_1 | not available | Ex-cond_1 |
| 1H-111Cd HMQC | sample_1 | not available | Ex-cond_1 |
| NOESY (60 ms,120 ms and 250 ms) for 10% D2O | sample_1 | not available | Ex-cond_1 |
| NOESY (50 ms and 100 ms) for 100% D2O | sample_1 | not available | Ex-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 |