BMRB Entry 25370

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25370

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Title:
1H and 13C chemical shift assignments for crotalicidin-Ct in DPC micelles
Deposition date:
2014-11-27
Original release date:
2016-06-30
Authors:
Jimenez, M. Angeles; Zamora-Carreras, Hector
Citation:

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).
PubMed: 26465972

Assembly members:

Assembly members:
crotalicidin-Ct, polymer, 20 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
crotalicidin-Ct: KKRLKKIFKKPMVIGVTIPF

Data sets:
Data typeCount
13C chemical shifts162
1H chemical shifts365

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Crotalicidin-Ct1

Entities:

Entity 1, Crotalicidin-Ct 20 residues - Formula weight is not available

1   LYSLYSARGLEULYSLYSILEPHELYSLYS
2   PROMETVALILEGLYVALTHRILEPROPHE

Samples:

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

sample_2: crotalicidin-Ct 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