BMRB Entry 53315
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53315
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Citation: Oster, Carl; de Vries, Reinier; Li, Juan; Qoraj, Denis; Lange, Sascha; Shi, Chaowei; Kopec, Wojciech; de Groot, Bert; Lange, Adam. "Atomistic Mechanism of Calcium-Mediated Inward Rectification of the MthK Potassium Channel by Solid-State NMR and MD Simulations" The BMRB entry is the only known published source for the data..
Assembly members:
entity_1, polymer, 71 residues, Formula weight is not available
Natural source: Common Name: Methanothermobacter thermautotrophicus Taxonomy ID: 145262 Superkingdom: Archaea Kingdom: Methanobacteriati Genus/species: Methanothermobacter thermautotrophicus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21a
Entity Sequences (FASTA):
entity_1: ILLLVLAVIIYGTAGFHFIE
GESWTVSLYWTFVTIATVGY
GDYSPSTPLGMYFTVTLIVL
GIGTFAVAVER
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 135 |
| 15N chemical shifts | 47 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MthK | 1 |
Entities:
Entity 1, MthK 71 residues - Formula weight is not available
| 1 | ILE | LEU | LEU | LEU | VAL | LEU | ALA | VAL | ILE | ILE | ||||
| 2 | TYR | GLY | THR | ALA | GLY | PHE | HIS | PHE | ILE | GLU | ||||
| 3 | GLY | GLU | SER | TRP | THR | VAL | SER | LEU | TYR | TRP | ||||
| 4 | THR | PHE | VAL | THR | ILE | ALA | THR | VAL | GLY | TYR | ||||
| 5 | GLY | ASP | TYR | SER | PRO | SER | THR | PRO | LEU | GLY | ||||
| 6 | MET | TYR | PHE | THR | VAL | THR | LEU | ILE | VAL | LEU | ||||
| 7 | GLY | ILE | GLY | THR | PHE | ALA | VAL | ALA | VAL | GLU | ||||
| 8 | ARG |
Samples:
sample_1: MthK pore domain, [U-13C; U-15N; U-2H], 45 % w/w; TRIS 20 mM; asolectin lipids 40-70 % w/w; potassium chloride 100 mM
sample_conditions_1: pH: 8; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D (H)NCOCA | sample_1 | anisotropic | sample_conditions_1 |
| 3D (H)NCACO | sample_1 | isotropic | sample_conditions_1 |
| 3D (H)CANCO | sample_1 | isotropic | sample_conditions_1 |
| 3D (H)NCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D (H)NCO(CA)CB | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v4 - collection and processing
CcpNMR v4 - chemical shift assignment
NMR spectrometers:
- Bruker Avance 700 MHz