BMRB Entry 30256
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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/BMR30256
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Title: Brassica napus DGAT1 exosite
Deposition date: 2017-02-26 Original release date: 2017-12-26
Authors: Acedo, J.; Vederas, J.
Citation: Acedo, J.; Vederas, J.. "Brassica napus DGAT1 exosite" . ., .-..
Assembly members:
O-acyltransferase, polymer, 33 residues, 3877.332 Da.
Natural source: Common Name: Rape Taxonomy ID: 3708 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Brassica napus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
O-acyltransferase: NVDVRYTYRPSVPAHRRVRE
SPLSSDAIFKQSH
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 31 |
| 1H chemical shifts | 234 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 33 residues - 3877.332 Da.
| 1 | ASN | VAL | ASP | VAL | ARG | TYR | THR | TYR | ARG | PRO | ||||
| 2 | SER | VAL | PRO | ALA | HIS | ARG | ARG | VAL | ARG | GLU | ||||
| 3 | SER | PRO | LEU | SER | SER | ASP | ALA | ILE | PHE | LYS | ||||
| 4 | GLN | SER | HIS |
Samples:
sample_1: BnaDGAT1 exosite 1 mM; DSS 0.01%; sodium chloride 25 mM; sodium phosphate 30 mM
sample_conditions_1: ionic strength: 55 mM; pH: 6.3; pressure: 1 atm; temperature: 300 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 DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking
CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
NMR spectrometers:
- Varian VNMRS 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts