BMRB Entry 34011
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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/BMR34011
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Title: Solution structure of the bacterial toxin LdrD in Tetrafluorethanol
Deposition date: 2016-06-16 Original release date: 2017-07-26
Authors: Meyer, N.
Citation: Meyer, N.. "Solution structure of the bacterial toxin LdrD in Tetrafluorethanol" to be published ., .-..
Assembly members:
Small toxic polypeptide LdrD, polymer, 35 residues, 3920.710 Da.
Natural source: Common Name: Escherichia coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Small toxic polypeptide LdrD: MTFAELGMAFWHDLAAPVIA
GILASMIVNWLNKRK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 118 |
| 1H chemical shifts | 178 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 35 residues - 3920.710 Da.
| 1 | MET | THR | PHE | ALA | GLU | LEU | GLY | MET | ALA | PHE | ||||
| 2 | TRP | HIS | ASP | LEU | ALA | ALA | PRO | VAL | ILE | ALA | ||||
| 3 | GLY | ILE | LEU | ALA | SER | MET | ILE | VAL | ASN | TRP | ||||
| 4 | LEU | ASN | LYS | ARG | LYS |
Samples:
sample_1: LdrD, 1H, 1 mM
sample_conditions_1: ionic strength: 0 mM; pH: 7; pressure: 1 bar; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - peak picking
NMR spectrometers:
- Bruker AvanceIII 700 MHz