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 30347

Title: NMR ensemble of Tyrocidine A analogue AC3.27   PubMed: 29140694

Authors: Cameron, A.; Ewdards, P.; Harjes, E.; Sarojini, V.

Citation: Cameron, A.; Ewdards, P.; Harjes, E.; Sarojini, V.. "Tyrocidine A Analogues Bearing the Planar d-Phe-2-Abz Turn Motif: How Conformation Impacts Bioactivity"  J. Med. Chem. 60, 9565-9574 (2017).

Assembly members:
entity_1, polymer, 10 residues, 1311.548 Da.

Natural source:   Common Name: Brevibacillus brevis   Taxonomy ID: 1393   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Brevibacillus brevis

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: XXFXNKYVXL

Data sets:
Data typeCount
1H chemical shifts68

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 10 residues - 1311.548 Da.

1   DPNBE2PHEDPNASNLYSTYRVALORNLEU

Samples:

sample_1: entity_1 0.8 mM

sample_conditions_1: pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

ANALYSIS - structure solution

YASARA, E.KRIGER - refinement, structure solution

NMR spectrometers:

  • Bruker Avance 700 MHz

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