BMRB Entry 34606
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34606
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: cytoplasmic domain of Vibrio cholerae ToxR PubMed: 34487759
Deposition date: 2021-02-23 Original release date: 2021-10-22
Authors: Gubensaek, N.; Zangger, K.; Hartlmueller, C.; Madl, T.
Citation: Gubensak, Nina; Schrank, Evelyne; Hartlmuller, Christoph; Gobl, Christoph; Falsone, Fabio; Becker, Walter; Wagner, Gabriel; Pulido, Sergio; Meyer, N Helge; Pavkov-Keller, Tea; Madl, Tobias; Reidl, Joachim; Zangger, Klaus. "Structural and DNA binding properties of the cytoplasmic domain of Vibrio cholerae transcription factor ToxR" J. Biol. Chem. ., 101167-101167 (2021).
Assembly members:
entity_1, polymer, 144 residues, 16641.771 Da.
Natural source: Common Name: Vibrio cholerae Taxonomy ID: 666 Superkingdom: Bacteria Kingdom: not available Genus/species: Vibrio cholerae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: MAHHHHHHGSMFGLGHNSKE
ISMSHIGTKFILAEKFTFDP
LSNTLIDKEDSEEIIRLGSN
ESRILWLLAQRPNEVISRND
LHDFVWREQGFEVDDSSLTQ
AISTLRKMLKDSTKSPQYVK
TVPKRGYQLIARVETVEEEM
ARES
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 330 |
| 15N chemical shifts | 101 |
| 1H chemical shifts | 492 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 144 residues - 16641.771 Da.
| 1 | MET | ALA | HIS | HIS | HIS | HIS | HIS | HIS | GLY | SER | ||||
| 2 | MET | PHE | GLY | LEU | GLY | HIS | ASN | SER | LYS | GLU | ||||
| 3 | ILE | SER | MET | SER | HIS | ILE | GLY | THR | LYS | PHE | ||||
| 4 | ILE | LEU | ALA | GLU | LYS | PHE | THR | PHE | ASP | PRO | ||||
| 5 | LEU | SER | ASN | THR | LEU | ILE | ASP | LYS | GLU | ASP | ||||
| 6 | SER | GLU | GLU | ILE | ILE | ARG | LEU | GLY | SER | ASN | ||||
| 7 | GLU | SER | ARG | ILE | LEU | TRP | LEU | LEU | ALA | GLN | ||||
| 8 | ARG | PRO | ASN | GLU | VAL | ILE | SER | ARG | ASN | ASP | ||||
| 9 | LEU | HIS | ASP | PHE | VAL | TRP | ARG | GLU | GLN | GLY | ||||
| 10 | PHE | GLU | VAL | ASP | ASP | SER | SER | LEU | THR | GLN | ||||
| 11 | ALA | ILE | SER | THR | LEU | ARG | LYS | MET | LEU | LYS | ||||
| 12 | ASP | SER | THR | LYS | SER | PRO | GLN | TYR | VAL | LYS | ||||
| 13 | THR | VAL | PRO | LYS | ARG | GLY | TYR | GLN | LEU | ILE | ||||
| 14 | ALA | ARG | VAL | GLU | THR | VAL | GLU | GLU | GLU | MET | ||||
| 15 | ALA | ARG | GLU | SER |
Samples:
sample_1: cToxR_1-134, [U-13C; U-15N], 400 uM
sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 bar; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| hCCONH | sample_1 | isotropic | sample_conditions_1 |
| hCCONH | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CcpNmr Analysis, CCPN - chemical shift assignment
CS-ROSETTA, Shen, Vernon, Baker and Bax - structure calculation
NMR spectrometers:
- 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