BMRB Entry 30351

Title:
NMR solution structure of Defensin1 from Centruroides limpidus limpidus
Deposition date:
2017-10-11
Original release date:
2018-09-18
Authors:
Escobedo-Gonzalez, F.; del Rio-Portilla, F.; Franco-Bodek, D.
Citation:

Citation: Escobedo-Gonzalez, F.; del Rio-Portilla, F.; Franco-Bodek, D.; Rodriguez-de la Vega, R.; Carrillo-Flores, E.; Rodriguez-Solano, L.; Flores-Solis, D.; Garaza-Garcia, A.; Titaux-Delgado, G.; Lopez-Vera, E.; Cano-Sanchez, P.. "From good defence into mortal risk: NMR studyand conversion of a defensin into a neurotoxin"  .

Assembly members:

Assembly members:
entity_1, polymer, 34 residues, 3968.465 Da.

Natural source:

Natural source:   Common Name: Mexican scorpion   Taxonomy ID: 6876   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Centruroides limpidus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSACQFWSCNSSCISRGYRQ GYCWGIQYKYCQCQ

Data sets:
Data typeCount
1H chemical shifts186

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 34 residues - 3968.465 Da.

1   GLYSERALACYSGLNPHETRPSERCYSASN
2   SERSERCYSILESERARGGLYTYRARGGLN
3   GLYTYRCYSTRPGLYILEGLNTYRLYSTYR
4   CYSGLNCYSGLN

Samples:

sample_1: Def1 0.25 ± .02 mM

sample_conditions_1: ionic strength: 1 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

AMBER, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

CARA v1.5, Keller and Wuthrich - chemical shift assignment, data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment, structure calculation

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Varian INOVA 500 MHz
  • Bruker AMX 700 MHz