BMRB Entry 27455
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27455
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Capdevila, Daiana; Edmonds, Katherine; Campanello, Gregory; Wu, Hongwei; Gonzalez-Gutierrez, Giovanni; Giedroc, David. "Functional Role of Solvent Entropy and Conformational Entropy of Metal Binding in a Dynamically Driven Allosteric System" J. Am. Chem. Soc. 140, 9108-9119 (2018).
PubMed: 29953213
Assembly members:
CzrA_chain, polymer, 106 residues, Formula weight is not available
Natural source: Common Name: Staphylococcus aureus Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET3a
Entity Sequences (FASTA):
CzrA_chain: MAEQYSEINTDTLERVTEIF
KALGDYNRIRIMEALSVSEA
SVGHISHQLNLSQSNVSHQL
KLLKSVHLVKAKRQGQSMIY
SLDDIHVATMLKQAIHHANH
PKESGL
- assigned_chemical_shifts
- order_parameters
| Data type | Count |
| 13C chemical shifts | 266 |
| 15N chemical shifts | 100 |
| 1H chemical shifts | 391 |
| order parameters | 228 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CzrA1 | 1 |
| 2 | CzrA2 | 1 |
Entities:
Entity 1, CzrA1 106 residues - Formula weight is not available
| 1 | MET | ALA | GLU | GLN | TYR | SER | GLU | ILE | ASN | THR | ||||
| 2 | ASP | THR | LEU | GLU | ARG | VAL | THR | GLU | ILE | PHE | ||||
| 3 | LYS | ALA | LEU | GLY | ASP | TYR | ASN | ARG | ILE | ARG | ||||
| 4 | ILE | MET | GLU | ALA | LEU | SER | VAL | SER | GLU | ALA | ||||
| 5 | SER | VAL | GLY | HIS | ILE | SER | HIS | GLN | LEU | ASN | ||||
| 6 | LEU | SER | GLN | SER | ASN | VAL | SER | HIS | GLN | LEU | ||||
| 7 | LYS | LEU | LEU | LYS | SER | VAL | HIS | LEU | VAL | LYS | ||||
| 8 | ALA | LYS | ARG | GLN | GLY | GLN | SER | MET | ILE | TYR | ||||
| 9 | SER | LEU | ASP | ASP | ILE | HIS | VAL | ALA | THR | MET | ||||
| 10 | LEU | LYS | GLN | ALA | ILE | HIS | HIS | ALA | ASN | HIS | ||||
| 11 | PRO | LYS | GLU | SER | GLY | LEU |
Samples:
15N-13C: CzrA_chain, [U-13C; U-15N], 0.25 mM; MES 25 mM; sodium chloride 50 mM; sodium azide 0.02 % w/v; DSS 0.4 mM
ILVAM: CzrA_chain, [U-12C; U-15N; U-2H; Ala, Met, Leu, Val, Ile-d methyl 100%-1H; Ala, Met, Leu, Val, Ile-d methyl 100%-13C], 0.25 mM; MES, [U-2H], 25 mM; sodium chloride 50 mM; sodium azide 0.02 % w/v; DSS 0.4 mM
10percent13C: CzrA_chain, [U-10% 13C; U-99% 15N], 0.25 mM; MES 25 mM; sodium chloride 50 mM; sodium azide 0.02 % w/v; DSS 0.4 mM
25C: pH: 6; pressure: 1 atm; temperature: 298 K
30C: pH: 6; pressure: 1 atm; temperature: 303 K
35C: pH: 6; pressure: 1 atm; temperature: 308 K
40C: pH: 6; pressure: 1 atm; temperature: 313 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | 10percent13C | isotropic | 40C |
| 2D 1H-13C order parameter | ILVAM | isotropic | 25C |
| 2D 1H-13C order parameter | ILVAM | isotropic | 30C |
| 2D 1H-13C order parameter | ILVAM | isotropic | 35C |
| 2D 1H-13C order parameter | ILVAM | isotropic | 40C |
| 2D 1H-15N HSQC | 15N-13C | isotropic | 40C |
| 3D HNCACB | 15N-13C | isotropic | 40C |
| 3D C(CO)NH | 15N-13C | isotropic | 40C |
| 3D H(CCO)NH | 15N-13C | isotropic | 40C |
| 3D HCCH-TOCSY | 15N-13C | isotropic | 40C |
Software:
VNMRJ, Varian - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard, Keller, Wuethrich - chemical shift assignment, data analysis, peak picking
CARA, Keller, Wuethrich - chemical shift assignment
NMR spectrometers:
- Varian INOVA 800 MHz
- Varian INOVA 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks