BMRB Entry 27570
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR27570
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Title: Chemical shift assignment of wild-type E.coli diacylglycerol kinase (DGK) by solid-state NMR PubMed: 30850624
Deposition date: 2018-08-06 Original release date: 2019-02-26
Authors: Moebius, Kristin; Kazemi, Sina; Guentert, Peter; Jakob, Andreas; Heckel, Alexander; Becker-Baldus, Johanna; Glaubitz, Clemens
Citation: Moebius, Kristin; Kazemi, Sina; Guentert, Peter; Jakob, Andreas; Becker-Baldus, Johanna; Glaubitz, Clemens. "Global response of wild-type E.coli diacylglycerol kinase towards nucleotide and lipid substrate binding observed by 3D and 2D MAS NMR" Sci. Rep. 9, 3995-3995 (2019).
Assembly members:
DGK, polymer, 131 residues, Formula weight is not available
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pSD005
Entity Sequences (FASTA):
DGK: MGHHHHHHELANNTTGFTRI
IKAAGYSWKGLRAAWINEAA
FRQEGVAVLLAVVIACWLDV
DAITRVLLISSVMLVMIVEI
LNSAIEAVVDRIGSEYHELS
GRAKDMGSAAVLIAIIVAVI
TWCILLWSHFG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 418 |
| 15N chemical shifts | 112 |
| 1H chemical shifts | 5 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DGK, chain 1 | 1 |
| 2 | DGK, chain 2 | 1 |
| 3 | DGK, chain 3 | 1 |
Entities:
Entity 1, DGK, chain 1 131 residues - Formula weight is not available
| 1 | MET | GLY | HIS | HIS | HIS | HIS | HIS | HIS | GLU | LEU | ||||
| 2 | ALA | ASN | ASN | THR | THR | GLY | PHE | THR | ARG | ILE | ||||
| 3 | ILE | LYS | ALA | ALA | GLY | TYR | SER | TRP | LYS | GLY | ||||
| 4 | LEU | ARG | ALA | ALA | TRP | ILE | ASN | GLU | ALA | ALA | ||||
| 5 | PHE | ARG | GLN | GLU | GLY | VAL | ALA | VAL | LEU | LEU | ||||
| 6 | ALA | VAL | VAL | ILE | ALA | CYS | TRP | LEU | ASP | VAL | ||||
| 7 | ASP | ALA | ILE | THR | ARG | VAL | LEU | LEU | ILE | SER | ||||
| 8 | SER | VAL | MET | LEU | VAL | MET | ILE | VAL | GLU | ILE | ||||
| 9 | LEU | ASN | SER | ALA | ILE | GLU | ALA | VAL | VAL | ASP | ||||
| 10 | ARG | ILE | GLY | SER | GLU | TYR | HIS | GLU | LEU | SER | ||||
| 11 | GLY | ARG | ALA | LYS | ASP | MET | GLY | SER | ALA | ALA | ||||
| 12 | VAL | LEU | ILE | ALA | ILE | ILE | VAL | ALA | VAL | ILE | ||||
| 13 | THR | TRP | CYS | ILE | LEU | LEU | TRP | SER | HIS | PHE | ||||
| 14 | GLY |
Samples:
sample_1: DGK, [U-13C; U-15N], mM
sample_2: DGK, [U-13C; U-15N]; [U-12C; U-14N]-Ile,Leu,Val, mM
sample_conditions_1: pH: 7.2; temperature: 275 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D NCACX | sample_1 | solid | sample_conditions_1 |
| 3D NCOCX | sample_1 | solid | sample_conditions_1 |
| 3D CONCA | sample_1 | solid | sample_conditions_1 |
| 3D NCACX | sample_2 | solid | sample_conditions_1 |
| 3D NCOCX | sample_2 | solid | sample_conditions_1 |
| 3D CONCA | sample_2 | solid | sample_conditions_1 |
| 2D 13C-13C TOBSY | sample_1 | solid | sample_conditions_1 |
| 2D 1H-13C HETCOR | sample_1 | solid | sample_conditions_1 |
| 2D 1H-15N HETCOR | sample_1 | solid | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection, processing
ssFLYA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment
CCPN, CCPN - chemical shift assignment, data analysis, peak picking
NMR spectrometers:
- Bruker Avance 850 MHz