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 PubMed: 29140694
Deposition date: 2017-09-20 Original release date: 2017-11-29
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, 1310.497 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: XXFXNQYVXL
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 65 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 10 residues - 1310.497 Da.
| 1 | DPN | BE2 | PHE | DPN | ASN | GLN | TYR | VAL | ORN | LEU |
Samples:
sample_1: entity_1 0.7 mM
sample_conditions_1: pH: 6; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
ANALYSIS v2.4.2 - structure solution
YASARA, KRIEGER - refinement, structure solution
NMR spectrometers:
- Bruker Avance 700 MHz