BMRB Entry 34369

Name: Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring B, minor conformer
Published: 2019-10-01

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PDB ID: 6qyr
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34369
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	11
1H chemical shifts	11

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 5 residues - 463.549 Da.

1

DAL

LEU

GLY

CYS

THR

Samples:

sample_1: Mutacin I ring B 13.0 mg/mL

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

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HMBC	sample_1	isotropic	sample_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