BMRB Entry 15245
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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/BMR15245
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Gronwald, Wolfram; Hohm, Tim; Hoffmann, Daniel. "Evolutionary Pareto-optimization of stably folding peptides" BMC Bioinformatics. 9, .-. (2008).
PubMed: 18284690
Assembly members:
villin_G34L, polymer, 36 residues, Formula weight is not available
Natural source: Common Name: chicken Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gallus gallus
Experimental source: Production method: chemical synthesis Host organism: none Vector: none
Entity Sequences (FASTA):
villin_G34L: MLSDEDFKAVFGMTRSAFAN
LPLWKQQNLKKEKLLF
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 219 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | villin_G34L monomer | 1 |
Entities:
Entity 1, villin_G34L monomer 36 residues - Formula weight is not available
| 1 | MET | LEU | SER | ASP | GLU | ASP | PHE | LYS | ALA | VAL | ||||
| 2 | PHE | GLY | MET | THR | ARG | SER | ALA | PHE | ALA | ASN | ||||
| 3 | LEU | PRO | LEU | TRP | LYS | GLN | GLN | ASN | LEU | LYS | ||||
| 4 | LYS | GLU | LYS | LEU | LEU | PHE |
Samples:
sample_1: villin_G34L 4.3 mg; H2O 90 v/v %; D2O 10 v/v %; DSS 0.1 mM
sample_conditions_1: ionic strength: 0 M; pH: 5.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
AUREMOL v1.3, Bruker Biospin - chemical shift assignment, data analysis, peak picking
NMR spectrometers:
- Bruker DRX 500 MHz