BMRB Entry 51422
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51422
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Title: 1H, 13C and 15N backbone chemical shifts for human calmodulin in aqueous solution PubMed: 36306014
Deposition date: 2022-04-28 Original release date: 2022-10-31
Authors: Jimenez, M. Angeles; Comas, Laura; Pantoja-Uceda, David; Valdes, Patricia
Citation: Labat-de-Hoz, Leticia; Comas, Laura; Rubio-Ramos, Armando; Casares-Arias, Javier; Fernandez-Martin, Laura; Pantoja-Uceda, David; Martin, M. Teresa; Kremer, Leonor; Jimenez, M. Angeles; Correas, Isabel; Alonso, Miguel. "Structure and function of the N-terminal extension of the formin INF2" Cell. Mol. Life Sci. 79, 571-571 (2022).
Assembly members:
entity_1, polymer, 148 residues, Formula weight is not available
entity_CA, non-polymer, 40.078 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: R701-X65-527
Entity Sequences (FASTA):
entity_1: ADQLTEEQIAEFKEAFSLFD
KDGDGTITTKELGTVMRSLG
QNPTEAELQDMINEVDADGN
GTIDFPEFLTMMARKMKDTD
SEEEIREAFRVFDKDGNGYI
SAAELRHVMTNLGEKLTDEE
VDEMIREADIDGDGQVNYEE
FVQMMTAK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 431 |
| 15N chemical shifts | 145 |
| 1H chemical shifts | 145 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CaM | 1 |
| 2 | calcium cation, 1 | 2 |
| 3 | calcium cation, 2 | 2 |
| 4 | calcium cation, 3 | 2 |
| 5 | calcium cation, 4 | 2 |
Entities:
Entity 1, CaM 148 residues - Formula weight is not available
| 1 | ALA | ASP | GLN | LEU | THR | GLU | GLU | GLN | ILE | ALA | ||||
| 2 | GLU | PHE | LYS | GLU | ALA | PHE | SER | LEU | PHE | ASP | ||||
| 3 | LYS | ASP | GLY | ASP | GLY | THR | ILE | THR | THR | LYS | ||||
| 4 | GLU | LEU | GLY | THR | VAL | MET | ARG | SER | LEU | GLY | ||||
| 5 | GLN | ASN | PRO | THR | GLU | ALA | GLU | LEU | GLN | ASP | ||||
| 6 | MET | ILE | ASN | GLU | VAL | ASP | ALA | ASP | GLY | ASN | ||||
| 7 | GLY | THR | ILE | ASP | PHE | PRO | GLU | PHE | LEU | THR | ||||
| 8 | MET | MET | ALA | ARG | LYS | MET | LYS | ASP | THR | ASP | ||||
| 9 | SER | GLU | GLU | GLU | ILE | ARG | GLU | ALA | PHE | ARG | ||||
| 10 | VAL | PHE | ASP | LYS | ASP | GLY | ASN | GLY | TYR | ILE | ||||
| 11 | SER | ALA | ALA | GLU | LEU | ARG | HIS | VAL | MET | THR | ||||
| 12 | ASN | LEU | GLY | GLU | LYS | LEU | THR | ASP | GLU | GLU | ||||
| 13 | VAL | ASP | GLU | MET | ILE | ARG | GLU | ALA | ASP | ILE | ||||
| 14 | ASP | GLY | ASP | GLY | GLN | VAL | ASN | TYR | GLU | GLU | ||||
| 15 | PHE | VAL | GLN | MET | MET | THR | ALA | LYS |
Entity 2, calcium cation, 1 - Ca - 40.078 Da.
| 1 | CA |
Samples:
sample_1: CaM, [U-100% 13C; U-100% 15N], 0.25 mM; D2O, [U-2H], 10 % v/v; H2O 90 % v/v; Tris-HCl 20 mM; NaCl, natural abundance, 10 mM; CaCl2, natural abundance, 5 mM
sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | 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 CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN - collection, processing
NMRFAM-SPARKY - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE NEO 800 MHz MHz
Related Database Links:
| NCBI | NP_001350599.1 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts