BMRB Entry 25363

Title:
1H and 13C chemical shift assignments and structure calculation for crotalicidin in DPC micelles
Deposition date:
2014-11-24
Original release date:
2015-11-02
Authors:
Jimenez, M. Angeles; Zamora-Carreras, Hector
Citation:

Citation: Borges-Falcao, Claudio; de la Torre, Beatriz; Perez-Peinado, Clara; 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, polymer, 34 residues, 4167.471 Da.

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: KRFKKFFKKVKKSVKKRLKK IFKKPMVIGVTIPF

Data sets:
Data typeCount
13C chemical shifts196
1H chemical shifts585

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1crotalicidin1

Entities:

Entity 1, crotalicidin 34 residues - 4167.471 Da.

1   LYSARGPHELYSLYSPHEPHELYSLYSVAL
2   LYSLYSSERVALLYSLYSARGLEULYSLYS
3   ILEPHELYSLYSPROMETVALILEGLYVAL
4   THRILEPROPHE

Samples:

sample_1: crotalicidin 1 mM; DPC, [U-98% 2H], 30 mM; DSS 0.1 mM

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

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

TALOS, Cornilescu, Delaglio and Bax - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz