BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 30990

Title: Heterogeneous-backbone proteomimetic analogue of the disulfide-rich venom peptide lasiocepsin: D-Ala modified loop   PubMed: 35290019

Deposition date: 2022-02-04 Original release date: 2022-04-26

Authors: Cabalteja, C.; Harmon, T.; Rao, S.; Horne, W.

Citation: Cabalteja, C.; Lin, Q.; Harmon, T.; Rao, S.; Di, Y.; Horne, W.. "Heterogeneous-Backbone Proteomimetic Analogues of Lasiocepsin, a Disulfide-Rich Antimicrobial Peptide with a Compact Tertiary Fold"  ACS Chem. Biol. 17, 987-997 (2022).

Assembly members:
entity_1, polymer, 28 residues, 2941.885 Da.

Natural source:   Common Name: bees   Taxonomy ID: 88510   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Lasioglossum laticeps

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: GLXRKXLCAXAKKKAKCKAA XKLXCKCX

Data sets:
Data typeCount
1H chemical shifts200

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 28 residues - 2941.885 Da.

1   GLYLEUXCPARGLYSXCPLEUCYSALAXCP
2   ALALYSB3KLYSDALLYSCYSLYSDALALA
3   XCPLYSLEU1VRCYSLYSCYSNH2

Samples:

sample_1: Heterogeneous-backbone proteomimetic analogue of the disulfide-rich venom peptide lasiocepsin: D-Ala modified loop 1.6 mM; DSS 0.25 mM

sample_conditions_1: ionic strength: 10 mM; pH: 4 pH*; 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-1H COSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1

Software:

TopSpin, Bruker Biospin - processing

NMRFAM-SPARKY, Lee, Tonelli, Markley - data analysis

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

NMR spectrometers:

  • Bruker AVANCE 700 MHz