BMRB Entry 30891

Title:
NMR Structure of Schistocin-1 antimicrobial peptide in presence of DPC-d38 micelles
Deposition date:
2021-03-25
Original release date:
2021-09-07
Authors:
Santos, B.; De Magalhaes, M.
Citation:

Citation: Santos, B.; Alves, E.; Ferreira, C.; Ferreira-Silva, A.; Goes-Neto, A.; Verly, R.; Liao, L.; Oliveira, S.; de Magalhaes, M.. "Schistocins: Novel antimicrobial peptides encrypted in the Schistosoma mansoni Kunitz Inhibitor SmKI-1"  Biochim. Biophys. Acta Gen. Subj. 1865, 129989-129989 (2021).
PubMed: 34389467

Assembly members:

Assembly members:
entity_1, polymer, 21 residues, 2276.784 Da.

Natural source:

Natural source:   Common Name: Blood fluke   Taxonomy ID: 6183   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Schistosoma mansoni

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GILDIKNKVSNLFKKIKGEK X

Data sets:
Data typeCount
13C chemical shifts67
1H chemical shifts162

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 21 residues - 2276.784 Da.

1   GLYILELEUASPILELYSASNLYSVALSER
2   ASNLEUPHELYSLYSILELYSGLYGLULYS
3   NH2

Samples:

sample_1: DPC 200 mM; peptide 2 mM; buffer 90%; DSS, [U-98% 2H], 0.5%

sample_conditions_1: ionic strength: 50 mM; pH: 6.2; pressure: 1 atm; temperature: 300 K

Experiments:

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

Software:

TopSpin v4.0.7, Bruker Biospin - processing

CcpNmr Analysis v2.4.2, CCPN - data analysis

ARIA v2.3, Linge, O'Donoghue and Nilges - structure calculation

CNS v1.21, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Bruker AVANCE III 500 MHz