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 25846

Title: In silico designed antimicrobial peptide Lavracin

Deposition date: 2015-10-13 Original release date: 2017-01-12

Authors: Pillong, Max; Blatter, Markus; Schneider, Gisbert

Citation: Pillong, Max. "Rational design of nature-inspired membranolytic peptides"  Not known ., .-..

Assembly members:
entity, polymer, 21 residues, 2249.744 Da.

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity: WDPYFAGVKKLTKAILAVRA X

Data sets:
Data typeCount
1H chemical shifts152

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 21 residues - 2249.744 Da.

1   TRPASPPROTYRPHEALAGLYVALLYSLYS
2   LEUTHRLYSALAILELEUALAVALARGALA
3   NH2

Samples:

sample_1: Lavracin 8.9 uM

sample_conditions_1: ionic strength: 100 mM; pH: 4.1; pressure: 1 atm; temperature: 291 K

Experiments:

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

Software:

AMBER v12, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure solution

ATNOSCANDID, Herrmann, Guntert and Wuthrich - peak picking

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 500 MHz