BMRB Entry 34238

Title:
NMR structure of Casocidin-I 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, 39 residues, 4880.708 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: KTKLTEEEKNRLNFLKKISQ RYQKFALPQYLKTVYQHQK

Data sets:
Data typeCount
1H chemical shifts322

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 39 residues - 4880.708 Da.

1   LYSTHRLYSLEUTHRGLUGLUGLULYSASN
2   ARGLEUASNPHELEULYSLYSILESERGLN
3   ARGTYRGLNLYSPHEALALEUPROGLNTYR
4   LEULYSTHRVALTYRGLNHISGLNLYS

Samples:

sample_1: Casocidin-I 950 uM

sample_conditions_1: pH: 2.9; 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 INOVA 600 MHz

Related Database Links:

AlphaFold Q9TR51