BMRB Entry 25574
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25574
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Title: Spatial Structure of Antimicrobial Peptide SmAMP2-2c from Seeds of Stellaria media
Deposition date: 2015-04-16 Original release date: 2016-06-27
Authors: Bozin, Timur; Bocharov, Eduard; Panova, Stanislava; Vassilevski, Alexander
Citation: Vassilevski, Alexander; Bozin, Timur; Musolyamov, Alexander; Panova, Stanislava; Slavokhotova, Anna; Mitkevich, Vladimir; Finkina, Ekaterina; Nikonorova, Alexandra; Ovchinnikova, Tatyana; Arseniev, Alexander; Babakov, Alexei; Bocharov, Eduard; Grishin, Eugene; Egorov, Tsezi. "Common chickweed (Stellaria media) antifungal peptides with chitin-binding domain provide unique plant defense strategy." Molecular Plant ., .-..
Assembly members:
SmAMP2-2c, polymer, 30 residues, 3002.410 Da.
Natural source: Common Name: Stellaria media Taxonomy ID: 13274 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Stellaria media
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
SmAMP2-2c: AAGQCYRGRCSGGLCCSKYG
YCGSGPAYCG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 81 |
| 1H chemical shifts | 162 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SmAMP2-2c | 1 |
Entities:
Entity 1, SmAMP2-2c 30 residues - 3002.410 Da.
| 1 | ALA | ALA | GLY | GLN | CYS | TYR | ARG | GLY | ARG | CYS | |
| 2 | SER | GLY | GLY | LEU | CYS | CYS | SER | LYS | TYR | GLY | |
| 3 | TYR | CYS | GLY | SER | GLY | PRO | ALA | TYR | CYS | GLY |
Samples:
sample_inH2O: SmAMP2-2c 0.8 ± 0.1 mM; sodium acetate 20 ± 0.1 mM; sodium chloride 30 ± 0.1 mM
sample_inD2O: SmAMP2-2c 0.8 ± 0.1 mM; sodium acetate 20 ± 0.1 mM; sodium chloride 30 ± 0.1 mM
sample_4NOE: SmAMP2-2c 2 ± 0.1 mM; sodium acetate 10 ± 0.1 mM; sodium chloride 70 ± 0.1 mM
sample_conditions_30C: ionic strength: 0.08 M; pH: 4.5; pressure: 1 atm; temperature: 303 K
sample_conditions_10C: ionic strength: 0.05 M; pH: 4.5; pressure: 1 atm; temperature: 283 K
sample_conditions_40C: ionic strength: 0.05 M; pH: 4.5; pressure: 1 atm; temperature: 313 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_inD2O | isotropic | sample_conditions_30C |
| 2D 1H-13C HSQC | sample_inD2O | isotropic | sample_conditions_30C |
| 2D 1H-1H NOESY | sample_4NOE | isotropic | sample_conditions_30C |
| 2D 1H-1H TOCSY | sample_4NOE | isotropic | sample_conditions_40C |
| 2D 1H-1H TOCSY | sample_inH2O | isotropic | sample_conditions_30C |
| 2D 1H-1H TOCSY | sample_inH2O | isotropic | sample_conditions_10C |
Software:
Molmol, Koradi, Billeter and Wuthrich - molecule viewer
CYANA v2.1, Guntert, Braun and Wuthrich - structure solution
ACME, Delaglio, Zhengrong and Bax - J-coupling measurement
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
CARA, Keller and Wuthrich - chemical shift assignment
NMR spectrometers:
- Bruker DRX 600 MHz
- Bruker DRX 700 MHz
- Bruker DRX 800 MHz