BMRB Entry 51537

Title:
1H and 13C chemical shifts for retroenantio Ctn[15-34] in DPC micelles
Deposition date:
2022-07-28
Original release date:
2022-10-19
Authors:
Jimenez, M. Angeles
Citation:

Citation: Carrera, Adam; Defaus, Sira; Perez-Peinado, Clara; Sandin, Daniel; Torrent, Marc; Jimenez, M. Angeles; Andreu, David. "Examining Topoisomers of a Snake-Venom-Derived Peptide for Improved Antimicrobial and Antitumoral Properties"  Biomedicines 10, 2110-2110 (2022).
PubMed: 36140211

Assembly members:

Assembly members:
entity_1, polymer, 21 residues, 2371.10 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: FPITVGIVMPKKFIKKLRKK X

Data sets:
Data typeCount
13C chemical shifts182
1H chemical shifts394

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Ctn[15-34] retroenantio1

Entities:

Entity 1, Ctn[15-34] retroenantio 21 residues - 2371.10 Da.

All aminoacids are D

1   PHEPROILETHRVALGLYILEVALMETPRO
2   LYSLYSPHEILELYSLYSLEUARGLYSLYS
3   NH2

Samples:

sample_1: Ctn[15-34] retroenantio 1 mM; DPC, [U-98% 2H], 30 mM; DSS 0.1 mM; H2O 90 % v/v; D2O, [U-100% 2H], 10 % v/v

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 DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_2
2D 1H-1H TOCSYsample_1isotropicsample_conditions_2
2D 1H-1H NOESYsample_1isotropicsample_conditions_2
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_2
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_2

Software:

NMRFAM-SPARKY - chemical shift assignment, data analysis

TOPSPIN - collection, processing

TALOS - data analysis

CYANA - structure solution

NMR spectrometers:

  • Bruker AVANCE NEO 600 MHz