BMRB Entry 16182
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16182
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Title: The solution conformation of the leader sequence of the prepropeptide for the microcin-like patellamides PubMed: 20715266
Deposition date: 2009-02-22 Original release date: 2010-10-18
Authors: Jaspars, Marcel; Wright, Stephen; Houssen, Wael; Kelly, Sharon; Kalverda, Arnout
Citation: Houssen, Wael; Wright, Stephen; Kalverda, Arnout; Thompson, Gary; Kelly, Sharon; Jaspars, Marcel. "Solution structure of the leader sequence of the patellamide precursor peptide, PatE1-34." Chembiochem 11, 1867-1873 (2010).
Assembly members:
Leader peptide, polymer, 35 residues, 3707.293 Da.
Natural source: Common Name: cyanobacteria Taxonomy ID: 1216 Superkingdom: Bacteria Kingdom: not available Genus/species: Prochloron not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Leader peptide: MNKKNILPQQGQPVIRLTAG
QLSSQLAELSEEAX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 255 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PatE prepropeptide | 1 |
Entities:
Entity 1, PatE prepropeptide 35 residues - 3707.293 Da.
| 1 | MET | ASN | LYS | LYS | ASN | ILE | LEU | PRO | GLN | GLN | ||||
| 2 | GLY | GLN | PRO | VAL | ILE | ARG | LEU | THR | ALA | GLY | ||||
| 3 | GLN | LEU | SER | SER | GLN | LEU | ALA | GLU | LEU | SER | ||||
| 4 | GLU | GLU | ALA | NLW |
Samples:
sample_1: entity 1.0 mM; H2O 50%; TFE, [U-99% 2H], 50%; disodium hydrogen phosphate 5 mM; sodium dihydrogen phosphate 5 mM; sodium chloride 50 mM
sample_conditions_1: ionic strength: 65 mM; pH: 5.7; 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 |
| 1D 1H | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR v3.851, Brunger - restrained molecular dynamics calculations
NMR spectrometers:
- Varian INOVA 600 MHz