BMRB Entry 30263
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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/BMR30263
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Title: Suboptimization of a glycine rich peptide allows the combinatorial space exploration for designing novel antimicrobial peptides
Deposition date: 2017-03-02 Original release date: 2018-03-01
Authors: Alves, E.; Matos, C.
Citation: Alves, E.; Matos, C.; Porto, W.; Irazazabal, L.; Ribeiro, S.; Pires, A.; Fensterseifer, I.; Haney, Evan; de la Fuente-Nunez, C.; Humblot, V.; Hancock, R.; Liao, L.; Ladram, A.; Franco, O.. "Suboptimization of a glycine rich peptide allows the combinatorial space exploration for designing novel antimicrobial peptides" . ., .-..
Assembly members:
entity_1, polymer, 21 residues, 2648.084 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: RQYMRQIEQALRYGYRISRR
X
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 20 |
| 1H chemical shifts | 108 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 21 residues - 2648.084 Da.
| 1 | ARG | GLN | TYR | MET | ARG | GLN | ILE | GLU | GLN | ALA | ||||
| 2 | LEU | ARG | TYR | GLY | TYR | ARG | ILE | SER | ARG | ARG | ||||
| 3 | NH2 |
Samples:
sample_1: D2O 5%; H2O 90%; dodecylphosphocholine 100 mM; peptide 1 mM; sodium 2,2-dimethyl-2-silapentane-5-sulfonate 5%
sample_conditions_1: ionic strength: 0.01 M; pH: 4; pressure: 1 atm; temperature: 289 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 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
Molmol, Koradi, Billeter and Wuthrich - data analysis
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - data analysis
QUEEN, Nabuurs, Spronk, Krieger, Maassen, Vriend and Vuister - data analysis
TALOS, Cornilescu, Delaglio and Bax - geometry optimization
X-PLOR NIH v2.28, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
NMR spectrometers:
- Bruker AvanceIII 500 MHz