BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 34417

Title: M-TRTX-Preg1a (Poecilotheria regalis)   PubMed: 32602722

Deposition date: 2019-07-16 Original release date: 2020-07-20

Authors: Meudal, H.; Landon, C.; Delmas, A.

Citation: Reynaud, S.; Ciolek, J.; Degueldre, M.; Saez, N.; Sequeira, A.; Duhoo, Y.; Bras, J.; Meudal, H.; Cabo Diez, M.; Fernandez Pedrosa, V.; Verdenaud, M.; Boeri, J.; Pereira Ramos, O.; Ducancel, F.; Vanden Driessche, M.; Fourmy, R.; Violette, A.; Upert, G.; Mourier, G.; Beck-Sickinger, A.; Morl, K.; Landon, C.; Fontes, C.; Minambres Herraiz, R.; Rodriguez de la Vega, R.; Peigneur, S.; Tytgat, J.; Quinton, L.; De Pauw, E.; Vincentelli, R.; Servent, D.; Gilles, N.. "A Venomics approach coupled to high-throughput toxin production strategies identifies the first venom-derived melanocortin receptor agonists."  J. Med. Chem. ., .-. (2020).

Assembly members:
entity_1, polymer, 28 residues, 2927.543 Da.

Natural source:   Common Name: Poecilotheria formosa   Taxonomy ID: 1971608   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Poecilotheria formosa

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: RCLHAGAACSGPIQKIPCCG TCSRRKCT

Data sets:
Data typeCount
13C chemical shifts76
15N chemical shifts25
1H chemical shifts174

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 28 residues - 2927.543 Da.

1   ARGCYSLEUHISALAGLYALAALACYSSER
2   GLYPROILEGLNLYSILEPROCYSCYSGLY
3   THRCYSSERARGARGLYSCYSTHR

Samples:

sample_1: [1-28]M-TRTX-Preg1a 0.5 mM

sample_conditions_1: ionic strength: 0 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

CNS, Brunger et al. - refinement

ARIA, Linge, O'Donoghue and Nilges - structure calculation

CcpNmr Analysis, Vranken et al. - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AVANCE III HD 700 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts