BMRB Entry 34237

Title:
NMR structure of Casocidin-II antimicrobial peptide in 60% TFE
Deposition date:
2018-02-19
Original release date:
2018-09-24
Authors:
Mercurio, F.; Leone, M.
Citation:

Citation: Mercurio, Flavia Anna; Scaloni, Andrea; Caira, Simonetta; Leone, Marilisa. "The antimicrobial peptides casocidins I and II: Solution structural studies in water and different membrane-mimetic environments"  Peptides 114, 50-58 (2019).
PubMed: 30243923

Assembly members:

Assembly members:
entity_1, polymer, 31 residues, 3864.535 Da.

Natural source:

Natural source:   Common Name: cow   Taxonomy ID: 9913   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Bos taurus

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: TKLTEEEKNRLNFLKKISQR YQKFALPQYLK

Data sets:
Data typeCount
1H chemical shifts255

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 31 residues - 3864.535 Da.

1   THRLYSLEUTHRGLUGLUGLULYSASNARG
2   LEUASNPHELEULYSLYSILESERGLNARG
3   TYRGLNLYSPHEALALEUPROGLNTYRLEU
4   LYS

Samples:

sample_1: Casocidin II 1.2 mM

sample_conditions_1: pH: 2.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1

Software:

VNMR, Varian - collection

XEASY, Bartels et al. - chemical shift assignment

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation

NMR spectrometers:

  • Varian UNITY 600 MHz

Related Database Links:

AlphaFold Q9TR51