BMRB Entry 36187
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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/BMR36187
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Title: Solution Structure of the DNA-Binding Domain of Rok PubMed: 30252102
Deposition date: 2018-05-08 Original release date: 2020-07-15
Authors: Xia, B.; Duan, B.
Citation: Duan, B.; Ding, P.; Hughes, T.; Navarre, W.; Liu, J.; Xia, B.. "How bacterial xenogeneic silencer rok distinguishes foreign from self DNA in its resident genome." Nucleic Acids Res. 46, 10514-10529 (2018).
Assembly members:
entity_1, polymer, 103 residues, 11693.313 Da.
Natural source: Common Name: Bacillus subtilis Taxonomy ID: 224308 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus Bacillus subtilis
Experimental source: Production method: .
Entity Sequences (FASTA):
entity_1: AGIPDGTTRRRRGTARPGSK
AAKLREAAIKTLKRHNAAIK
SSELQKEIEKESGLEIPNMT
TFMQSLIKMYPEVKKPYRGQ
YILEGEIESAESANELEHHH
HHH
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 424 |
| 15N chemical shifts | 98 |
| 1H chemical shifts | 703 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 103 residues - 11693.313 Da.
| 1 | ALA | GLY | ILE | PRO | ASP | GLY | THR | THR | ARG | ARG | ||||
| 2 | ARG | ARG | GLY | THR | ALA | ARG | PRO | GLY | SER | LYS | ||||
| 3 | ALA | ALA | LYS | LEU | ARG | GLU | ALA | ALA | ILE | LYS | ||||
| 4 | THR | LEU | LYS | ARG | HIS | ASN | ALA | ALA | ILE | LYS | ||||
| 5 | SER | SER | GLU | LEU | GLN | LYS | GLU | ILE | GLU | LYS | ||||
| 6 | GLU | SER | GLY | LEU | GLU | ILE | PRO | ASN | MET | THR | ||||
| 7 | THR | PHE | MET | GLN | SER | LEU | ILE | LYS | MET | TYR | ||||
| 8 | PRO | GLU | VAL | LYS | LYS | PRO | TYR | ARG | GLY | GLN | ||||
| 9 | TYR | ILE | LEU | GLU | GLY | GLU | ILE | GLU | SER | ALA | ||||
| 10 | GLU | SER | ALA | ASN | GLU | LEU | GLU | HIS | HIS | HIS | ||||
| 11 | HIS | HIS | HIS |
Samples:
sample_1: Rok, [U-13C;U-15N], 1 mM; H2O 90%; D2O, [U-2H], 10%
sample_conditions_1: ionic strength: 50 mM; pH: 6.0 .; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
AMBER, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - peak picking
SANE, Duggan, Legge, Dyson & Wright - chemical shift assignment
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker Avance 950 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts