BMRB Entry 25366
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25366
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
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 type | Count |
13C chemical shifts | 130 |
1H chemical shifts | 418 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | Crotalicidin-Nt | 1 |
Entities:
Entity 1, Crotalicidin-Nt 14 residues - Formula weight is not available
1 | LYS | ARG | PHE | LYS | LYS | PHE | PHE | LYS | LYS | VAL | ||||
2 | LYS | LYS | SER | VAL |
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:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_2 |
2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_2 |
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_2 |
2D 1H-1H COSY | sample_2 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC aliphatic | sample_2 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC aromatic | sample_2 | isotropic | sample_conditions_1 |
2D 1H-1H COSY | sample_2 | isotropic | sample_conditions_2 |
2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_2 |
2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
2D 1H-13C HSQC aliphatic | sample_2 | isotropic | sample_conditions_2 |
2D 1H-13C HSQC aromatic | sample_2 | isotropic | sample_conditions_2 |
Software:
SPARKY, Goddard - chemical shift assignment, data analysis
TOPSPIN, Bruker Biospin - collection, processing
NMR spectrometers:
- Bruker Avance 600 MHz