BMRB Entry 34102
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34102
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Title: Solution structure of B. subtilis Sigma G inhibitor CsfB PubMed: 29526435
Deposition date: 2017-02-21 Original release date: 2018-02-23
Authors: Martinez-Lumbreras, S.; Alfano, C.; Atkinson, A.; Isaacson, R.
Citation: Martinez-Lumbreras, Santiago; Alfano, Caterina; Evans, Nicola; Collins, Katherine; Flanagan, Kelly; Atkinson, R Andrew; Krysztofinska, Ewelina; Vydyanath, Anupama; Jackter, Jacquelin; Fixon-Owoo, Sarah; Camp, Amy; Isaacson, Rivka. "Structural and Functional Insights into Bacillus subtilis Sigma Factor Inhibitor, CsfB." Structure 26, 640-648 (2018).
Assembly members:
entity_1, polymer, 49 residues, 5630.390 Da.
entity_ZN, non-polymer, 65.409 Da.
Natural source: Common Name: Bacillus subtilis Taxonomy ID: 1423 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus subtilis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: SMDETVKLNHTCVICDQEKN
RGIHLYTKFICLDCERKVIS
TSTSDPDYA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 166 |
| 15N chemical shifts | 47 |
| 1H chemical shifts | 321 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1, 1 | 1 |
| 2 | entity_1, 2 | 1 |
| 3 | entity_2, 1 | 2 |
| 4 | entity_2, 2 | 2 |
Entities:
Entity 1, entity_1, 1 49 residues - 5630.390 Da.
| 1 | SER | MET | ASP | GLU | THR | VAL | LYS | LEU | ASN | HIS | ||||
| 2 | THR | CYS | VAL | ILE | CYS | ASP | GLN | GLU | LYS | ASN | ||||
| 3 | ARG | GLY | ILE | HIS | LEU | TYR | THR | LYS | PHE | ILE | ||||
| 4 | CYS | LEU | ASP | CYS | GLU | ARG | LYS | VAL | ILE | SER | ||||
| 5 | THR | SER | THR | SER | ASP | PRO | ASP | TYR | ALA |
Entity 2, entity_2, 1 - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: CsfB-labelled, [U-100% 13C; U-100% 15N], 1 mM
sample_2: CsfB-labelled, [U-100% 13C; U-100% 15N], 0.5 mM; CsfB 0.5 mM
sample_conditions_1: ionic strength: 250 mM; pH: 7.5; pressure: 1 atm; 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 CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D filtered/edited 1H-13C NOESY aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
Analysis v2.4, CCPN - chemical shift assignment
ARIA v2.3, Linge, O'Donoghue and Nilges - refinement, structure calculation
TALOS v+, Cornilescu, Delaglio and Bax - data analysis
NMR spectrometers:
- Bruker Avance 700 MHz
- Bruker Avance 950 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts