BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

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: Mercurio, F.; Leone, M.. "NMR structure of Casocidin-I antimicrobial peptide in 60% TFE"  . ., .-..

Assembly members:
entity_1, polymer, 39 residues, 4880.708 Da.

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

Experimental source:   Production method: chemical synthesis

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