BMRB Entry 18398
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18398
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Title: Solution Structure of the WNK1 Autoinhibitory Domain PubMed: 23376100
Deposition date: 2012-04-13 Original release date: 2012-04-24
Authors: Moon, Thomas; Correa, Fernando; Gardner, Kevin; Goldsmith, Elizabeth
Citation: Moon, Thomas; Correa, Fernando; Kinch, Lisa; Piala, Alexander; Gardner, Kevin; Goldsmith, Elizabeth. "Solution Structure of the WNK1 Autoinhibitory Domain, a WNK-Specific PF2 Domain." J. Mol. Biol. 425, 1245-1252 (2013).
Assembly members:
WNKAI, polymer, 98 residues, 11358.971 Da.
Natural source: Common Name: Rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
WNKAI: GAMDPQEETGVRVELAEEDD
GEKIAIKLWLRIEDIKKLKG
KYKDNEAIEFSFDLERDVPE
DVAQEMVESGYVCEGDHKTM
AKAIKDRVSLIKRKREQR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 438 |
| 15N chemical shifts | 97 |
| 1H chemical shifts | 704 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | WNK1 Autoinhibitory Domain | 1 |
Entities:
Entity 1, WNK1 Autoinhibitory Domain 98 residues - 11358.971 Da.
| 1 | GLY | ALA | MET | ASP | PRO | GLN | GLU | GLU | THR | GLY | ||||
| 2 | VAL | ARG | VAL | GLU | LEU | ALA | GLU | GLU | ASP | ASP | ||||
| 3 | GLY | GLU | LYS | ILE | ALA | ILE | LYS | LEU | TRP | LEU | ||||
| 4 | ARG | ILE | GLU | ASP | ILE | LYS | LYS | LEU | LYS | GLY | ||||
| 5 | LYS | TYR | LYS | ASP | ASN | GLU | ALA | ILE | GLU | PHE | ||||
| 6 | SER | PHE | ASP | LEU | GLU | ARG | ASP | VAL | PRO | GLU | ||||
| 7 | ASP | VAL | ALA | GLN | GLU | MET | VAL | GLU | SER | GLY | ||||
| 8 | TYR | VAL | CYS | GLU | GLY | ASP | HIS | LYS | THR | MET | ||||
| 9 | ALA | LYS | ALA | ILE | LYS | ASP | ARG | VAL | SER | LEU | ||||
| 10 | ILE | LYS | ARG | LYS | ARG | GLU | GLN | ARG |
Samples:
sample_1: WNKAI, [U-100% 13C; U-100% 15N], 0.65 mM
sample_conditions_1: ionic strength: 0.010 M; pH: 6.5; pressure: 1 atm; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRView, Johnson, One Moon Scientific - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
ARIA, Linge, O, . - structure solution
NMR spectrometers:
- Varian INOVA 800 MHz
Related Database Links:
| PDB | |
| DBJ | BAA20802 BAD32213 BAE21813 |
| EMBL | CAC15059 |
| GB | AAF31483 AAF74258 AAH30370 AAI28629 AAI38446 |
| REF | NP_001002823 NP_001090703 NP_001171914 NP_001171949 NP_001171950 |
| SP | P83741 Q9H4A3 Q9JIH7 |
| TPG | DAA29175 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts