BMRB Entry 5581
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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/BMR5581
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Title: NMR solution structure of type-B lantibiotics mersacidin in MeOH/H2O mixture PubMed: 12562773
Deposition date: 2002-11-06 Original release date: 2008-07-17
Authors: Hsu, Shang-Te; Breukink, Eefjan; Bierbaum, Gabriele; Sahl, Hans-Georg; de Kruijff, Ben; Kaptein, Rob; van Nuland, Nico; Bonvin, Alexandre
Citation: Hsu, Shang-Te; Breukink, Eefjan; Bierbaum, Gabriele; Sahl, Hans-Georg; de Kruijff, Ben; Kaptein, Rob; van Nuland, Nico; Bonvin, Alexandre. "NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles: Conformational Changes are a Key to Antimicrobial Activity" J. Biol. Chem. 278, 13110-13117 (2003).
Assembly members:
Type B lantibiotics mersacidin, polymer, 20 residues, Formula weight is not available
Natural source: Common Name: Bacillus sp. Taxonomy ID: 1409 Superkingdom: Eubacteria Kingdom: not available Genus/species: Bacillus Bacillus sp.
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
Type B lantibiotics mersacidin: CXFXLPGGGGVCXLXXECIX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 82 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | lantibiotic Mersacidin | 1 |
Entities:
Entity 1, lantibiotic Mersacidin 20 residues - Formula weight is not available
| 1 | CYS | ABA | PHE | ABA | LEU | PRO | GLY | GLY | GLY | GLY | |
| 2 | VAL | CYS | ABA | LEU | ABA | DHA | GLU | CYS | ILE | DHL |
Samples:
sample_1: Type B lantibiotics mersacidin 2 mM; MeOH, [U-2H], 37%
sample_cond_1: pH: 6.0; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | not available | sample_cond_1 |
| 2D TOCSY | sample_1 | not available | sample_cond_1 |
| DQF-COSY | sample_1 | not available | sample_cond_1 |
Software:
xwinnmr - collection
NMRPipe - processing
CNS v1.1 - structure solution
ARIA v1.1 - structure solution
NMR spectrometers:
- Bruker DRX 750 MHz