BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 25366

Title: 1H and 13C chemical shift assignments for Crotalicidin-Nt in DPC micelles   PubMed: 26465972

Deposition date: 2014-11-25 Original release date: 2016-06-30

Authors: Jimenez, M. Angeles; Zamora-Carreras, Hector

Citation: Borges-Falcao, Claudio; Perez-Peinado, Clara; de la Torre, Beatriz; Mayol, Xavier; Zamora-Carreras, Hector; Jimenez, M. Angeles; Radis-Baptista, Gandhi; Andreu, David. "Structural Dissection of Crotalicidin, a Rattlesnake Venom Cathelicidin, Retrieves a Fragment with Antimicrobial and Antitumor Activity"  J. Med. Chem. 58, 8553-8563 (2015).

Assembly members:
crotalicidin-Nt, polymer, 14 residues, Formula weight is not available

Natural source:   Common Name: tropical rattlesnake   Taxonomy ID: 8731   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Crotalus durissus

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
crotalicidin-Nt: KRFKKFFKKVKKSV

Data typeCount
13C chemical shifts130
1H chemical shifts418

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Crotalicidin-Nt1

Entities:

Entity 1, Crotalicidin-Nt 14 residues - Formula weight is not available

1   LYSARGPHELYSLYSPHEPHELYSLYSVAL
2   LYSLYSSERVAL

Samples:

sample_1: crotalicidin-Nt 1 mM; DPC, [U-98% 2H], 30 mM; DSS 0.1 mM; H2O 90%; D2O, [U-2H], 10%

sample_2: crotalicidin-Nt 1 mM; DPC, [U-98% 2H], 30 mM; DSS 0.1 mM; D2O, [U-2H], 100%

sample_conditions_1: ionic strength: 0 M; pH: 3.0; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 0 M; pH: 3.0; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_2
2D 1H-1H TOCSYsample_1isotropicsample_conditions_2
2D 1H-1H NOESYsample_1isotropicsample_conditions_2
2D 1H-1H COSYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_2isotropicsample_conditions_1
2D 1H-1H COSYsample_2isotropicsample_conditions_2
2D 1H-1H TOCSYsample_2isotropicsample_conditions_2
2D 1H-1H NOESYsample_2isotropicsample_conditions_2
2D 1H-13C HSQC aliphaticsample_2isotropicsample_conditions_2
2D 1H-13C HSQC aromaticsample_2isotropicsample_conditions_2

Software:

SPARKY, Goddard - chemical shift assignment, data analysis

TOPSPIN, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker Avance 600 MHz