BMRB Entry 34904
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34904
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Citation: Kovacs, B.; Geudens, N.; Martins, J.. "NMR structure of entolysin A in micellar DPC solution" To be published ., .-..
Assembly members:
entity_1, polymer, 15 residues, 1739.101 Da.
Natural source: Common Name: Pseudomonas entomophila L48 Taxonomy ID: 384676 Superkingdom: Bacteria Kingdom: not available Genus/species: Pseudomonas entomophila
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
entity_1: XLXXXXXXXXXVLSI
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 52 |
| 1H chemical shifts | 123 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 15 residues - 1739.101 Da.
| 1 | IG8 | LEU | DGL | DGN | DVA | DLE | DGN | DVA | DLE | DGN | ||||
| 2 | DSN | VAL | LEU | SER | ILE |
Samples:
sample_1: entolysin A 2.5 ± 0.05 mM; DPC, [U-2H], 150 ± 0.05 mM
sample_conditions_1: ionic strength: 26 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
AmberTools, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - data analysis
TopSpin v3.x, Bruker Biospin - collection, processing
CcpNmr Analysis, Vuister et al. - chemical shift assignment, peak picking
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation
NMR spectrometers:
- Bruker AVANCE II 700 MHz