BMRB Entry 15901
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15901
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Castaneda, Carlos; Fitch, Carolyn; Majumdar, Ananya; Khangulov, Victor; Schlessman, Jamie; Garcia-Moreno, Bertrand. "Molecular determinants of the pKa values of Asp and Glu residues in staphylococcal nuclease." Proteins 77, 570-588 (2009).
PubMed: 19533744
Assembly members:
D+PHS, polymer, 143 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: PET24a+
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 276 |
| 15N chemical shifts | 138 |
| 1H chemical shifts | 138 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | D+PHS | 1 |
Entities:
Entity 1, D+PHS 143 residues - Formula weight is not available
| 1 | ALA | THR | SER | THR | LYS | LYS | LEU | HIS | LYS | GLU | ||||
| 2 | PRO | ALA | THR | LEU | ILE | LYS | ALA | ILE | ASP | GLY | ||||
| 3 | ASP | THR | VAL | LYS | LEU | MET | TYR | LYS | GLY | GLN | ||||
| 4 | PRO | MET | THR | PHE | ARG | LEU | LEU | LEU | VAL | ASP | ||||
| 5 | THR | PRO | GLU | PHE | ASN | GLU | LYS | TYR | GLY | PRO | ||||
| 6 | GLU | ALA | SER | ALA | PHE | THR | LYS | LYS | MET | VAL | ||||
| 7 | GLU | ASN | ALA | LYS | LYS | ILE | GLU | VAL | GLU | PHE | ||||
| 8 | ASP | LYS | GLY | GLN | ARG | THR | ASP | LYS | TYR | GLY | ||||
| 9 | ARG | GLY | LEU | ALA | TYR | ILE | TYR | ALA | ASP | GLY | ||||
| 10 | LYS | MET | VAL | ASN | GLU | ALA | LEU | VAL | ARG | GLN | ||||
| 11 | GLY | LEU | ALA | LYS | VAL | ALA | TYR | VAL | TYR | LYS | ||||
| 12 | GLY | ASN | ASN | THR | HIS | GLU | GLN | LEU | LEU | ARG | ||||
| 13 | LYS | ALA | GLU | ALA | GLN | ALA | LYS | LYS | GLU | LYS | ||||
| 14 | LEU | ASN | ILE | TRP | SER | GLU | ASP | ASN | ALA | ASP | ||||
| 15 | SER | GLY | GLN |
Samples:
sample_1_pH_4p66: D+PHS, [U-99% 13C; U-99% 15N], 0.8-1.1 mM; potassium chloride 100 mM; potassium acetate 25 mM; D2O 10%; sodium azide 0.5 mM; H2O 90%
sample_conditions_1: ionic strength: 0.1 M; pH: 4.66; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1_pH_4p66 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1_pH_4p66 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1_pH_4p66 | isotropic | sample_conditions_1 |
Software:
SPARKY v3.110, Goddard - chemical shift assignment, peak picking
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- 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