BMRB Entry 34369

Title:
Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring B, minor conformer
Deposition date:
2019-03-09
Original release date:
2019-10-01
Authors:
Dickman, R.; Mitchell, S.; Figueiredo, A.; Hansen, D.; Tabor, A.
Citation:

Citation: Dickman, R.; Mitchell, S.; Figueiredo, A.; Hansen, D.; Tabor, A.. "Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B."  J. Org. Chem. 84, 11493-11512 (2019).
PubMed: 31464129

Assembly members:

Assembly members:
entity_1, polymer, 5 residues, 463.549 Da.

Natural source:

Natural source:   Common Name: Lactococcus lactis   Taxonomy ID: 1358   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Lactococcus lactis

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XLGCT

Data sets:
Data typeCount
13C chemical shifts11
1H chemical shifts11

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 5 residues - 463.549 Da.

1   DALLEUGLYCYSTHR

Samples:

sample_1: Mutacin I ring B 13.0 mg/mL

sample_conditions_1: pH: 5.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HMBCsample_1isotropicsample_conditions_1

Software:

Xplor-NIH v2.45, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

Xplor-NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AVANCE 600 MHz