BMRB Entry 15677
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15677
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Title: Solubilization of transmembrane proteins in water: structural studies of a water-soluble analogue of the potassium channel KcsA PubMed: 18948596
Deposition date: 2008-02-29 Original release date: 2008-11-10
Authors: Ma, Dejian; Xu, Yan; Tillman, Tommy; Tang, Pei; Meirovitch, Eva; Eckenhoff, Roderic; Carnini, Anna
Citation: Ma, Dejian; Tillman, Tommy; Tang, Pei; Meirovitch, Eva; Eckenhoff, Roderic; Carnini, Anna; Xu, Yan. "NMR studies of a channel protein without membranes: structure and dynamics of water-solubilized KcsA" Proc. Natl. Acad. Sci. U. S. A. 105, 16537-16542 (2008).
Assembly members:
WSK3, polymer, 103 residues, 11404.746 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
WSK3: SADHEREAQKAEEELQKVLE
EASKKAVEAERGAPGAALIS
YPDAIWWSVETATTVGYGDR
YPVTEEGRKVAEQVMKAGIE
VFALVTAALATDFVRREEER
RGH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 411 |
| 15N chemical shifts | 113 |
| 1H chemical shifts | 744 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 1 |
| 3 | entity_3 | 1 |
| 4 | entity_4 | 1 |
Entities:
Entity 1, entity_1 103 residues - 11404.746 Da.
This is the water-soluble analogue of transmembrane domain of potassium channel KcsA
| 1 | SER | ALA | ASP | HIS | GLU | ARG | GLU | ALA | GLN | LYS | ||||
| 2 | ALA | GLU | GLU | GLU | LEU | GLN | LYS | VAL | LEU | GLU | ||||
| 3 | GLU | ALA | SER | LYS | LYS | ALA | VAL | GLU | ALA | GLU | ||||
| 4 | ARG | GLY | ALA | PRO | GLY | ALA | ALA | LEU | ILE | SER | ||||
| 5 | TYR | PRO | ASP | ALA | ILE | TRP | TRP | SER | VAL | GLU | ||||
| 6 | THR | ALA | THR | THR | VAL | GLY | TYR | GLY | ASP | ARG | ||||
| 7 | TYR | PRO | VAL | THR | GLU | GLU | GLY | ARG | LYS | VAL | ||||
| 8 | ALA | GLU | GLN | VAL | MET | LYS | ALA | GLY | ILE | GLU | ||||
| 9 | VAL | PHE | ALA | LEU | VAL | THR | ALA | ALA | LEU | ALA | ||||
| 10 | THR | ASP | PHE | VAL | ARG | ARG | GLU | GLU | GLU | ARG | ||||
| 11 | ARG | GLY | HIS |
Samples:
wsk3_15N: WSK3_15N, [U-15N], 0.2 mM; D2O, [U-2H], 55 M; DSS 0.2 mM
wsk3_13C15N: wsk3, [U-13C; U-15N], 0.2 mM; D2O, [U-2H], 55 M; DSS 0.2 mM
sample_conditions_1: ionic strength: 0 M; pH: 4.5; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | wsk3_13C15N | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | wsk3_13C15N | isotropic | sample_conditions_1 |
| 3D HNCO | wsk3_13C15N | isotropic | sample_conditions_1 |
| 3D HNCA | wsk3_13C15N | isotropic | sample_conditions_1 |
| 3D HNCACB | wsk3_13C15N | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | wsk3_13C15N | isotropic | sample_conditions_1 |
| T1, T2, hetNOE | wsk3_13C15N | isotropic | sample_conditions_1 |
| R2 dispersion | wsk3_13C15N | isotropic | sample_conditions_1 |
| diffusion measurement | wsk3_13C15N | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
X-PLOR NIH v2.15.0, Schwieters, Kuszewski, Tjandra and Clore - structure solution
TOPSPIN v1.3, Bruker Biospin - collection
SPARKY v3.110, Goddard - chemical shift assignment, data analysis, peak picking
NMRPipe v2.4, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis, peak picking, processing
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 700 MHz
- Bruker Avance 600 MHz
Related Database Links:
| PDB |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts