BMRB Entry 36057
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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/BMR36057
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Title: Solution structure of a novel antimicrobial peptide, P1, from jumper ant Myrmecia pilosula PubMed: 28470277
Deposition date: 2017-02-06 Original release date: 2019-08-06
Authors: Tseng, T.-S., T.; Chen, C.
Citation: Tseng, Tien-Sheng; Tsai, Keng-Chang; Chen, Chinpan. "Characterizing the structure-function relationship reveals the mode of action of a novel antimicrobial peptide, P1, from jumper ant Myrmecia pilosula" Mol. Biosyst. 13, 1193-1201 (2017).
Assembly members:
entity_1, polymer, 20 residues, 2112.609 Da.
Natural source: Common Name: Jack jumper ant Taxonomy ID: 13618 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Myrmecia pilosula
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GLGSVFGRLARILGRVIPKV
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 17 |
| 1H chemical shifts | 138 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 20 residues - 2112.609 Da.
| 1 | GLY | LEU | GLY | SER | VAL | PHE | GLY | ARG | LEU | ALA | |
| 2 | ARG | ILE | LEU | GLY | ARG | VAL | ILE | PRO | LYS | VAL |
Samples:
sample_1: peptide 2 mM; H2O 90%; D2O, [U-2H], 10%
sample_conditions_1: pH: 5.0; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
SPARKY vWIN-92, Goddard - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts