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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/BMR51546
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Essig, Yona; Leszczyszyn, Oksana; Almutairi, Nora; Harrison-Smith, Alexandra; Blease, Alix; Zeitoun-Ghandour, Sukaina; Webb, Sam; Blindauer, Claudia; Sturzenbaum, Stephen. "Metallothionein-mediated metal trafficking in the nematode C. elegans: dissection of structural and functional differentiation" .
Assembly members:
entity_1, polymer, 63 residues, Formula weight is not available
entity_CD, non-polymer, 112.411 Da.
Natural source: Common Name: C. elegans Taxonomy ID: 6239 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Caenorhabditis elegans
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET29a_mtl2
Entity Sequences (FASTA):
entity_1: MVCKCDCKNQNCSCNTGTKD
CDCSDAKCCEQYCCPTASEK
KCCKSGCAGGCKCANCECAQ
AAH
Data type | Count |
1H chemical shifts | 308 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | MTL-2 | 1 |
2 | Cd(II), 1 | 2 |
3 | Cd(II), 2 | 2 |
4 | Cd(II), 3 | 2 |
Entity 1, MTL-2 63 residues - Formula weight is not available
1 | MET | VAL | CYS | LYS | CYS | ASP | CYS | LYS | ASN | GLN | ||||
2 | ASN | CYS | SER | CYS | ASN | THR | GLY | THR | LYS | ASP | ||||
3 | CYS | ASP | CYS | SER | ASP | ALA | LYS | CYS | CYS | GLU | ||||
4 | GLN | TYR | CYS | CYS | PRO | THR | ALA | SER | GLU | LYS | ||||
5 | LYS | CYS | CYS | LYS | SER | GLY | CYS | ALA | GLY | GLY | ||||
6 | CYS | LYS | CYS | ALA | ASN | CYS | GLU | CYS | ALA | GLN | ||||
7 | ALA | ALA | HIS |
Entity 2, Cd(II), 1 - Cd - 112.411 Da.
1 | CD |
sample_1: Cd6MTL2 1 mM; TRIS, [U-2H], 20 mM; sodium chloride 50 mM
sample_2: Cd6MTL2 1 mM; TRIS, [U-2H], 50 mM; sodium chloride 100 mM
sample_conditions_1: ionic strength: 0.12 M; pH: 7.0; pressure: 1 atm; temperature: 303 K
sample_conditions_2: ionic strength: 0.06 M; pH: 298; pressure: 1 atm; temperature: 298 K
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
2D 1H-111Cd HSQC | sample_1 | isotropic | sample_conditions_2 |
CYANA v2.1 - structure solution
TOPSPIN v2.1 - collection
SPARKY v3.114 - chemical shift assignment