BMRB Entry 30346

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30346
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Title:
NMR ensemble of Tyrocidine A analogue AC3.27
Deposition date:
2017-09-20
Original release date:
2017-11-29
Authors:
Cameron, A.; Ewdards, P.; Harjes, E.; Sarojini, V.
Citation:

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).
PubMed: 29140694

Assembly members:

Assembly members:
entity_1, polymer, 10 residues, 1310.497 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XXFXNQYVXL

Data sets:
Data typeCount
1H chemical shifts65

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 - 1310.497 Da.

1   DPNBE2PHEDPNASNGLNTYRVALORNLEU

Samples:

sample_1: entity_1 0.7 mM

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

Experiments:

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

Software:

ANALYSIS v2.4.2 - structure solution

YASARA, KRIEGER - refinement, structure solution

NMR spectrometers:

  • Bruker Avance 700 MHz