BMRB Entry 34678
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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/BMR34678
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Title: Solution structure of the C terminal domain of MgtC (PA4635) from Pseudomonas aeruginosa
Deposition date: 2021-11-16 Original release date: 2022-04-27
Authors: Barthe, P.; Cohen-Gonsaud, M.
Citation: Barthe, P.; Cohen-Gonsaud, M.. "Solution structure of the C terminal domain of MgtC (PA4635) from Pseudomonas aeruginosa" .
Assembly members:
entity_1, polymer, 97 residues, 10836.162 Da.
Natural source: Common Name: Pseudomonas aeruginosa Taxonomy ID: 208964 Superkingdom: Bacteria Kingdom: not available Genus/species: Pseudomonas aeruginosa
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: GPHMASEAEQRYEVQIVCRA
EDEIQVRSLMLHSLGSSDLR
LQSLHSEDLDNPAKLEVRAE
LLGTPEAPAQLERLVSRVSL
EKGVSSVRWQVFELAAD
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 222 |
| 15N chemical shifts | 97 |
| 1H chemical shifts | 647 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 97 residues - 10836.162 Da.
| 1 | GLY | PRO | HIS | MET | ALA | SER | GLU | ALA | GLU | GLN | ||||
| 2 | ARG | TYR | GLU | VAL | GLN | ILE | VAL | CYS | ARG | ALA | ||||
| 3 | GLU | ASP | GLU | ILE | GLN | VAL | ARG | SER | LEU | MET | ||||
| 4 | LEU | HIS | SER | LEU | GLY | SER | SER | ASP | LEU | ARG | ||||
| 5 | LEU | GLN | SER | LEU | HIS | SER | GLU | ASP | LEU | ASP | ||||
| 6 | ASN | PRO | ALA | LYS | LEU | GLU | VAL | ARG | ALA | GLU | ||||
| 7 | LEU | LEU | GLY | THR | PRO | GLU | ALA | PRO | ALA | GLN | ||||
| 8 | LEU | GLU | ARG | LEU | VAL | SER | ARG | VAL | SER | LEU | ||||
| 9 | GLU | LYS | GLY | VAL | SER | SER | VAL | ARG | TRP | GLN | ||||
| 10 | VAL | PHE | GLU | LEU | ALA | ALA | ASP |
Samples:
sample_1: PA4635, [U-15N], 0.4 mM; sodium phosphate 25 mM; sodium chloride 150 mM; DTT 2 mM
sample_2: PA4635, [U-13C; U-15N], 0.4 mM; sodium phosphate 25 mM; sodium chloride 150 mM; DTT 2 mM
sample_3: PA4635, [U-13C; U-15N], 0.4 mM; sodium phosphate 25 mM; sodium chloride 150 mM; DTT 2 mM
sample_4: PA4635, [U-13C; U-15N], 0.4 mM; sodium phosphate 25 mM; sodium chloride 150 mM; DTT 2 mM
sample_conditions_1: ionic strength: 150 mM; pH: 6.8; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_3 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_3 | isotropic | sample_conditions_1 |
| 3D HCACO | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_4 | isotropic | sample_conditions_1 |
Software:
TopSpin v3.6.2, Bruker Biospin - processing
CINDY v2.1, PAdilla, A., Padilla, A. - chemical shift assignment, peak picking
CYANA v3.98.13, Guntert, Mumenthaler and Wuthrich - structure calculation
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- Bruker AVANCE III 800 MHz
- Bruker AVANCE III 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts