BMRB Entry 30710
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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/BMR30710
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Title: Solution NMR structure of enterococcal cytolysin L (CylLL") produced by Enterococcus faecalis PubMed: 23314913
Deposition date: 2020-01-08 Original release date: 2020-07-05
Authors: Bobeica, S.; van der Donk, W.; Zhu, L.; Tang, W.
Citation: Tang, W.; van der Donk, W.. "The sequence of the enterococcal cytolysin imparts unusual lanthionine stereochemistry." Nat. Chem. Biol. 9, 157-159 (2013).
Assembly members:
entity_1, polymer, 38 residues, 3446.074 Da.
Natural source: Common Name: Enterococcus faecalis Taxonomy ID: 1351 Superkingdom: Bacteria Kingdom: not available Genus/species: Enterococcus faecalis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: XXPVCAVAAXAAAAXAACGW
VGGGIFTGVXVVVXLKHC
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 218 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 38 residues - 3446.074 Da.
| 1 | ABA | DBU | PRO | VAL | CYS | ALA | VAL | ALA | ALA | DBU | ||||
| 2 | ALA | ALA | ALA | ALA | DHA | ALA | ALA | CYS | GLY | TRP | ||||
| 3 | VAL | GLY | GLY | GLY | ILE | PHE | THR | GLY | VAL | DBU | ||||
| 4 | VAL | VAL | VAL | DAL | LEU | LYS | HIS | CYS |
Samples:
sample_1: cytolysin L 2.0 ± 0.2 mM
sample_conditions_1: pH: 6; pressure: 1 atm; temperature: 296 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
Sparky, Goddard - chemical shift assignment, data analysis, peak picking
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
NMR spectrometers:
- Varian INOVA 600 MHz