BMRB Entry 19570
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Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19570
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Title: Solution NMR structure of the cactus-derived antimicrobial peptide Ep-AMP1
Deposition date: 2013-10-22 Original release date: 2014-11-10
Authors: Rosengren, K. Johan; Goransson, Ulf; Gunasekera, Sunithi; Aboye, Teshome
Citation: Aboye, Teshome; Stromstedt, Adam; Bruhn, Jan; El-Seedi, Hesham; Gunasekera, Sunithi; Rosengren, K. Johan; Goransson, Ulf. "A cactus derived toxin-like cystine knot peptide with selective antimicrobial activity" ChemBioChem ., .-..
Assembly members:
Ep-AMP1, polymer, 35 residues, 3611.234 Da.
Natural source: Common Name: eudicots Taxonomy ID: 1001097 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Echinopsis pachanoi
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Ep-AMP1: CVLIGQRCDNDRGPRCCSGQ
GNCVPLPFLGGVCAV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 62 |
| 1H chemical shifts | 216 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | cactus-derived antimicrobial peptide Ep-AMP1 | 1 |
Entities:
Entity 1, cactus-derived antimicrobial peptide Ep-AMP1 35 residues - 3611.234 Da.
| 1 | CYS | VAL | LEU | ILE | GLY | GLN | ARG | CYS | ASP | ASN | ||||
| 2 | ASP | ARG | GLY | PRO | ARG | CYS | CYS | SER | GLY | GLN | ||||
| 3 | GLY | ASN | CYS | VAL | PRO | LEU | PRO | PHE | LEU | GLY | ||||
| 4 | GLY | VAL | CYS | ALA | VAL |
Samples:
sample_1: Ep-AMP1 6 mg/mL; H2O 90%; D2O 10%
sample_2: Ep-AMP1 4 mg/mL; D2O 100%
sample_conditions_1: ionic strength: 0 M; pH: 3.0; 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 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H ECOSY | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - collection, processing
XEASY, Bartels et al. - chemical shift assignment, data analysis, peak picking
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution
NMR spectrometers:
- Bruker Avance 600 MHz
Related Database Links:
| PDB |