BMRB Entry 25631
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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/BMR25631
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Title: structure of ace-pvhct-nh2 PubMed: 26708991
Deposition date: 2015-05-19 Original release date: 2015-06-15
Authors: petit, vanessa; rolland, jean-luc; blond, alain; djediat, chakib; peduzzi, jean; goulard, christophe; bachere, evelyne; dupont, joelle; destoumieux-garzon, delphine; rebuffat, sylvie
Citation: Petit, Vanessa; Rolland, Jean-luc; Blond, Alain; Djediat, Chakib; Peduzzi, Jean; Goulard, Christophe; Bachere, Evelyne; Dupont, Joelle; Destoumieux-garzon, Delphine; Rebuffat, Sylvie. "A hemocyanin-derived antimicrobial peptide from the penaeid shrimp adopts an alpha-helical structure that specifically permeabilizes fungal membranes" Biochim. Biophys. Acta 1860, 557-568 (2016).
Assembly members:
entity_1, polymer, 25 residues, 2756.093 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: XFEDLPNFGHIQVKVFNHGE
HIHHX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 154 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 25 residues - 2756.093 Da.
| 1 | ACE | PHE | GLU | ASP | LEU | PRO | ASN | PHE | GLY | HIS | ||||
| 2 | ILE | GLN | VAL | LYS | VAL | PHE | ASN | HIS | GLY | GLU | ||||
| 3 | HIS | ILE | HIS | HIS | NH2 |
Samples:
sample_1: methanol, [U-99% 2H], 3.5 mM; entity_1 3.5 mM
sample_conditions_1: pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
xwinnmr v3.1, Bruker Biospin - chemical shift assignment, processing
TOPSPIN v3.2, Bruker Biospin - chemical shift assignment, processing
AURELIA v3.8, Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer - data analysis, peak picking
X-PLOR v3.851, Brunger - refinement
NMR spectrometers:
- Bruker Avance 400 MHz