BMRB Entry 27787
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27787
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Backbone (1H, 15N, 13C) chemical shift assignments for the CALX-CBD1 domain in the Ca2+-bound state PubMed: 32574558
Deposition date: 2019-02-14 Original release date: 2020-06-18
Authors: Kopke Salinas, Roberto; Abiko, Layara; Vitale, Phelipe
Citation: Cardoso, Marcus; Rivera, J.; Vitale, Phelipe; Degenhardt, Maximilia; Abiko, Layara; Oliveira, Cristiano; Kopke Salinas, Roberto. "CALX-CBD1 Ca2+-binding cooperativity studied by NMR spectroscopy and ITC with Bayesian statistics" Biophys. J. 119, 337-348 (2020).
Assembly members:
CALX-CBD1, polymer, 131 residues, Formula weight is not available
CALCIUM ION, non-polymer, 40.078 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a
Entity Sequences (FASTA):
CALX-CBD1: MHHHHHHLEDDEEADDPIRM
YFEPGHYTVMENCGEFEVRV
VRRGDISTYASVEYETQDGT
ASAGTDFVGRKGLLSFPPGV
DEQRFRIEVIDDDVFEEDEC
FYIRLFNPSEGVKLAVPMIA
TVMILDDDHAG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 305 |
| 15N chemical shifts | 106 |
| 1H chemical shifts | 106 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CALX-CBD1 | 1 |
| 2 | Ca(2+), 1 | 2 |
| 3 | Ca(2+), 2 | 2 |
| 4 | Ca(2+), 3 | 2 |
| 5 | Ca(2+), 4 | 2 |
Entities:
Entity 1, CALX-CBD1 131 residues - Formula weight is not available
The segment between M425 and E433 corresponds to a 6His tag for purification. The amino acid sequence of the CALX-CBD1 starts at D434.
| 1 | MET | HIS | HIS | HIS | HIS | HIS | HIS | LEU | GLU | ASP | ||||
| 2 | ASP | GLU | GLU | ALA | ASP | ASP | PRO | ILE | ARG | MET | ||||
| 3 | TYR | PHE | GLU | PRO | GLY | HIS | TYR | THR | VAL | MET | ||||
| 4 | GLU | ASN | CYS | GLY | GLU | PHE | GLU | VAL | ARG | VAL | ||||
| 5 | VAL | ARG | ARG | GLY | ASP | ILE | SER | THR | TYR | ALA | ||||
| 6 | SER | VAL | GLU | TYR | GLU | THR | GLN | ASP | GLY | THR | ||||
| 7 | ALA | SER | ALA | GLY | THR | ASP | PHE | VAL | GLY | ARG | ||||
| 8 | LYS | GLY | LEU | LEU | SER | PHE | PRO | PRO | GLY | VAL | ||||
| 9 | ASP | GLU | GLN | ARG | PHE | ARG | ILE | GLU | VAL | ILE | ||||
| 10 | ASP | ASP | ASP | VAL | PHE | GLU | GLU | ASP | GLU | CYS | ||||
| 11 | PHE | TYR | ILE | ARG | LEU | PHE | ASN | PRO | SER | GLU | ||||
| 12 | GLY | VAL | LYS | LEU | ALA | VAL | PRO | MET | ILE | ALA | ||||
| 13 | THR | VAL | MET | ILE | LEU | ASP | ASP | ASP | HIS | ALA | ||||
| 14 | GLY |
Entity 2, Ca(2+), 1 - Ca - 40.078 Da.
| 1 | CA |
Samples:
sample_1: CALX-CBD1, [U-99% 13C; U-99% 15N], 250 ± 50 uM; Calcium(+2) 20 ± 5 mM; Tris 20 mM; NaCl 200 mM; 2-mercaptoethanol 5 mM; EDTA 2 mM; CaCl2 20 mM
sample_conditions_1: ionic strength: 0.24 M; pH: 7.4; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N 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 HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HCACO | sample_1 | isotropic | sample_conditions_1 |
Software:
CCPNMR v2.4, CCPN - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker Avance 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts