BMRB Entry 25476
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25476
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Title: Solution NMR structure of Salmonella typhimurium transcriptional regulator protein Crl PubMed: 26338235
Deposition date: 2015-02-07 Original release date: 2015-12-21
Authors: Cavaliere, Paola; Levi-Acobas, Fabienne; Monteil, Veronique; Bellalou, Jacques; Mayer, Claudine; Norel, Francoise; Sizun, Christina
Citation: Cavaliere, Paola; Sizun, Christina; Levi-Acobas, Fabienne; Nowakowski, Mireille; Monteil, Veronique; Bontems, Francois; Bellalou, Jacques; Mayer, Claudine; Norel, Francoise. "Binding interface between the Salmonella sigma (S)/RpoS subunit of RNA polymerase and Crl: hints from bacterial species lacking crl" Sci. Rep. 5, 13564-13564 (2015).
Assembly members:
His_ST-Crl, polymer, 154 residues, 18144.396 Da.
Natural source: Common Name: Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 Taxonomy ID: 99287 Superkingdom: Bacteria Kingdom: not available Genus/species: Salmonella enterica
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
His_ST-Crl: HHHHHHSSGTGSGENLYFQG
HMTLPSGHPKSRLIKKFTAL
GPYIREGQCEDNRFFFDCLA
VCVNVKPAPEKREFWGWWME
LEAQEKRFTYRYQFGLFDKE
GNWTVVPINETEVVERLEYT
LREFHEKLRDLLISMELALE
PSDDFNDEPVKLSA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 570 |
| 15N chemical shifts | 131 |
| 1H chemical shifts | 925 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Salmonella typhimurium Crl | 1 |
Entities:
Entity 1, Salmonella typhimurium Crl 154 residues - 18144.396 Da.
| 1 | HIS | HIS | HIS | HIS | HIS | HIS | SER | SER | GLY | THR | ||||
| 2 | GLY | SER | GLY | GLU | ASN | LEU | TYR | PHE | GLN | GLY | ||||
| 3 | HIS | MET | THR | LEU | PRO | SER | GLY | HIS | PRO | LYS | ||||
| 4 | SER | ARG | LEU | ILE | LYS | LYS | PHE | THR | ALA | LEU | ||||
| 5 | GLY | PRO | TYR | ILE | ARG | GLU | GLY | GLN | CYS | GLU | ||||
| 6 | ASP | ASN | ARG | PHE | PHE | PHE | ASP | CYS | LEU | ALA | ||||
| 7 | VAL | CYS | VAL | ASN | VAL | LYS | PRO | ALA | PRO | GLU | ||||
| 8 | LYS | ARG | GLU | PHE | TRP | GLY | TRP | TRP | MET | GLU | ||||
| 9 | LEU | GLU | ALA | GLN | GLU | LYS | ARG | PHE | THR | TYR | ||||
| 10 | ARG | TYR | GLN | PHE | GLY | LEU | PHE | ASP | LYS | GLU | ||||
| 11 | GLY | ASN | TRP | THR | VAL | VAL | PRO | ILE | ASN | GLU | ||||
| 12 | THR | GLU | VAL | VAL | GLU | ARG | LEU | GLU | TYR | THR | ||||
| 13 | LEU | ARG | GLU | PHE | HIS | GLU | LYS | LEU | ARG | ASP | ||||
| 14 | LEU | LEU | ILE | SER | MET | GLU | LEU | ALA | LEU | GLU | ||||
| 15 | PRO | SER | ASP | ASP | PHE | ASN | ASP | GLU | PRO | VAL | ||||
| 16 | LYS | LEU | SER | ALA |
Samples:
15N-Crl: His_ST-Crl, [U-98% 15N], 0.3 ± 0.03 mM; Sodium phosphate 50.0 ± 5.0 mM; Sodium chloride 300.0 ± 30.0 mM; Dithiotreitol 2.0 ± 0.2 mM; D2O 7%; H2O 93%
15N13C-Crl: His_ST-Crl, [U-98% 13C; U-98% 15N], 0.25 ± 0.25 mM; Sodium phosphate 50.0 ± 5.0 mM; Sodium chloride 300.0 ± 30.0 mM; Dithiotreitol 2.0 ± 0.2 mM; D2O 7%; H2O 93%
15N13C-Crl-D2O: His_ST-Crl, [U-98% 13C; U-98% 15N], 0.35 ± 0.04 mM; Sodium phosphate 50.0 ± 5.0 mM; Sodium chloride 300.0 ± 30.0 mM; Dithiotreitol 2.0 ± 0.2 mM; D2O 100%
15N13C2H-Crl: His_ST-Crl, [U-100% 13C; U-100% 15N; U-80% 2H], 0.300 ± 0.03 mM; Sodium phosphate 50.000 ± 5.0 mM; Sodium chloride 300.000 ± 30.0 mM; Dithiotreitol 2.0 ± 0.2 mM; D2O 7%; H2O 93%
pH8: ionic strength: 0.300 M; pH: 8.000; pressure: 1.000 atm; temperature: 293.000 K
pH6-5: ionic strength: 0.300 M; pH: 6.500; pressure: 1.000 atm; temperature: 293.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | 15N-Crl | isotropic | pH8 |
| 3D 1H-15N NOESY | 15N-Crl | isotropic | pH8 |
| 2D 1H-15N HSQC | 15N-Crl | isotropic | pH6-5 |
| 2D 1H-15N HSQC | 15N13C-Crl | isotropic | pH6-5 |
| 3D HNCACB | 15N13C-Crl | isotropic | pH6-5 |
| 2D 1H-15N HSQC | 15N13C-Crl | isotropic | pH8 |
| 3D HNCA | 15N13C-Crl | isotropic | pH8 |
| 3D HN(CO)CA | 15N13C-Crl | isotropic | pH8 |
| 3D CBCA(CO)NH | 15N13C-Crl | isotropic | pH8 |
| 3D HNCO | 15N13C-Crl | isotropic | pH8 |
| 2D 1H-15N HSQC | 15N13C2H-Crl | isotropic | pH8 |
| 3D HNCO | 15N13C2H-Crl | isotropic | pH8 |
| 3D HN(CA)CO | 15N13C2H-Crl | isotropic | pH8 |
| 3D HNCA | 15N13C2H-Crl | isotropic | pH8 |
| 3D HN(CO)CA | 15N13C2H-Crl | isotropic | pH8 |
| 2D 1H-13C HSQC | 15N13C-Crl-D2O | isotropic | pH8 |
| 3D hCCH-TOCSY | 15N13C-Crl-D2O | isotropic | pH8 |
| 3D 1H-13C NOESY | 15N13C-Crl-D2O | isotropic | pH8 |
| 2D 1H-1H NOESY | 15N13C-Crl-D2O | isotropic | pH8 |
Software:
CcpNmr_Analysis v2.2, CCPN - NMR data analysis
Cyana v2.2, L.A. Systems - NMR structure calculation
NMRPipe v1.0, NIDDKD NIH - NMR data processing
Talos-N v1.0, NIDDKD NIH - Dihedral Angles
NMR spectrometers:
- Bruker Avance 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts