BMRB Entry 4754
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4754
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Title: Determination of the three dimensional structure of the synthetic 113Cd3-beta-C domain of lobster MT-1 by Nuclear Magnetic Resonance PubMed: 12203008
Deposition date: 2000-06-07 Original release date: 2002-04-03
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
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 166 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | beta c | 1 |
| 2 | Cd I | 2 |
| 3 | Cd IV | 2 |
| 4 | Cd VI | 2 |
Entities:
Entity 1, beta c 30 residues - Formula weight is not available
| 1 | PRO | CYS | GLU | LYS | CYS | THR | SER | GLY | CYS | LYS | |
| 2 | CYS | PRO | SER | LYS | ASP | GLU | CYS | ALA | LYS | THR | |
| 3 | CYS | SER | LYS | PRO | CYS | SER | CYS | CYS | PRO | THR |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| TOCSY | sample_1 | not available | Ex_cond_1 |
| NOESY (100, 200, 300 ms) | sample_1 | not available | Ex_cond_1 |
| DQF-COSY | sample_1 | not available | Ex_cond_1 |
| P.E. COSY | sample_1 | not available | Ex_cond_1 |
| 1H-113Cd-HSQC-TOCSY | sample_1 | not available | Ex_cond_1 |
Software:
FELIX v97.0 - resonance assignments
NMR spectrometers:
- Bruker DRX 500 MHz