BMRB Entry 19124
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19124
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Title: NMR spatial structure of the antimicrobial peptide Tk-Amp-X2
Deposition date: 2013-03-28 Original release date: 2014-03-31
Authors: Usmanova, Dinara; Mineev, Konstantin; Arseniev, Alexander
Citation: Usmanova, Dinara; Mineev, Konstantin; Arseniev, Alexander. "NMR spatial structure of the antimicrobial peptide Tk-Amp-X2" To be Published ., .-..
Assembly members:
antimicrobial_peptide, polymer, 28 residues, 3533.107 Da.
Natural source: Common Name: Triticum kiharae Taxonomy ID: 376535 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Triticum kiharae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
antimicrobial_peptide: ADDRCERMCQRYHDRREKKQ
CMKGCRYG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 76 |
| 15N chemical shifts | 31 |
| 1H chemical shifts | 177 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | antimicrobial peptide Tk-Amp-X2 | 1 |
Entities:
Entity 1, antimicrobial peptide Tk-Amp-X2 28 residues - 3533.107 Da.
| 1 | ALA | ASP | ASP | ARG | CYS | GLU | ARG | MET | CYS | GLN | ||||
| 2 | ARG | TYR | HIS | ASP | ARG | ARG | GLU | LYS | LYS | GLN | ||||
| 3 | CYS | MET | LYS | GLY | CYS | ARG | TYR | GLY |
Samples:
sample_1: antimicrobial peptide, [U-13C; U-15N], mM
sample_2: antimicrobial peptide, [U-13C; U-15N], mM
sample_conditions_1: pH: 5.6; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_2 | isotropic | sample_conditions_1 |
| 3D HNHB | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
Software:
CYANA v3.0 - chemical shift assignment
NMR spectrometers:
- Bruker Avance 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts