BMRB Entry 4725
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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/BMR4725
MolProbity Validation Chart
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NMR-STAR v3 text file.
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RDF gzip file.
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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).
PubMed: 12203008
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
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 114 |
| 13C chemical shifts | 41 |
| coupling constants | 34 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | beta n | 1 |
| 2 | Cd II | 2 |
| 3 | Cd III | 2 |
| 4 | Cd V | 2 |
Entities:
Entity 1, beta n 28 residues - Formula weight is not available
| 1 | PRO | GLY | PRO | CYS | CYS | LYS | ASP | LYS | CYS | GLU | ||||
| 2 | CYS | ALA | GLU | GLY | GLY | CYS | LYS | THR | GLY | CYS | ||||
| 3 | LYS | CYS | THR | SER | CYS | ARG | CYS | ALA |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| TOCSY (278, 283, 298 and 313 K), | sample_1 | not available | conditions_1 |
| NOESY (60 and 150 ms at 278 and 298 K) | sample_1 | not available | conditions_1 |
| DQF-COSY | sample_1 | not available | conditions_1 |
| P.E. COSY | sample_1 | not available | conditions_1 |
| 1H-113Cd-HSQC-TOCSY | sample_1 | not available | conditions_1 |
| HSED | sample_1 | not available | conditions_1 |
Software:
FELIX v97.0 - resonance assignments
NMR spectrometers:
- Bruker DRX 500 MHz