BMRB Entry 50918
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50918
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Title: Isoleucine d1 methyl assignments for Actin bound with Ca-ATP PubMed: 35332323
Deposition date: 2021-05-02 Original release date: 2022-03-28
Authors: Zahm, Jacob; Ali, Rustam; Rosen, Michael
Citation: Ali, Rustam; Zahm, Jacob; Rosen, Michael. "Bound nucleotide can control the dynamic architecture of monomeric actin" Nat. Struct. Mol. Biol. 29, 320-328 (2022).
Assembly members:
entity_1, polymer, 374 residues, Formula weight is not available
entity_ATP, non-polymer, 507.181 Da.
entity_CA, non-polymer, 40.078 Da.
Natural source: Common Name: fruit fly Taxonomy ID: 7227 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Drosophila melanogaster
Experimental source: Production method: recombinant technology Host organism: Pichia pastoris Vector: pPICZ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 24 |
| 1H chemical shifts | 72 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Actin-5C | 1 |
| 2 | ATP | 2 |
| 3 | CA | 3 |
Entities:
Entity 1, Actin-5C 374 residues - Formula weight is not available
| 1 | ASP | GLU | GLU | VAL | ALA | ALA | LEU | VAL | VAL | ASP | ||||
| 2 | ASN | GLY | SER | GLY | MET | CYS | LYS | ALA | GLY | PHE | ||||
| 3 | ALA | GLY | ASP | ASP | ALA | PRO | ARG | ALA | VAL | PHE | ||||
| 4 | PRO | SER | ILE | VAL | GLY | ARG | PRO | ARG | HIS | GLN | ||||
| 5 | GLY | VAL | MET | VAL | GLY | MET | GLY | GLN | LYS | ASP | ||||
| 6 | SER | TYR | VAL | GLY | ASP | GLU | ALA | GLN | SER | LYS | ||||
| 7 | ARG | GLY | ILE | LEU | THR | LEU | LYS | TYR | PRO | ILE | ||||
| 8 | GLU | HIS | GLY | ILE | VAL | THR | ASN | TRP | ASP | ASP | ||||
| 9 | MET | GLU | LYS | ILE | TRP | HIS | HIS | THR | PHE | TYR | ||||
| 10 | ASN | GLU | LEU | ARG | VAL | ALA | PRO | GLU | GLU | HIS | ||||
| 11 | PRO | VAL | LEU | LEU | THR | GLU | ALA | PRO | LEU | ASN | ||||
| 12 | PRO | LYS | ALA | ASN | ARG | GLU | LYS | MET | THR | GLN | ||||
| 13 | ILE | MET | PHE | GLU | THR | PHE | ASN | THR | PRO | ALA | ||||
| 14 | MET | TYR | VAL | ALA | ILE | GLN | ALA | VAL | LEU | SER | ||||
| 15 | LEU | TYR | ALA | SER | GLY | ARG | THR | THR | GLY | ILE | ||||
| 16 | VAL | LEU | ASP | SER | GLY | ASP | GLY | VAL | SER | HIS | ||||
| 17 | THR | VAL | PRO | ILE | TYR | GLU | GLY | TYR | ALA | LEU | ||||
| 18 | PRO | HIS | ALA | ILE | LEU | ARG | LEU | ASP | LEU | ALA | ||||
| 19 | GLY | ARG | ASP | LEU | THR | ASP | TYR | LEU | MET | LYS | ||||
| 20 | ILE | LEU | THR | GLU | ARG | GLY | TYR | SER | PHE | THR | ||||
| 21 | THR | THR | GLU | GLU | ARG | GLU | ILE | VAL | ARG | ASP | ||||
| 22 | ILE | LYS | GLU | LYS | LEU | CYS | TYR | VAL | ALA | LEU | ||||
| 23 | ASP | PHE | GLU | GLN | GLU | MET | ALA | THR | ALA | ALA | ||||
| 24 | SER | SER | SER | SER | LEU | GLU | LYS | SER | TYR | GLU | ||||
| 25 | LEU | LYS | ASP | GLY | GLN | VAL | ILE | THR | ILE | GLY | ||||
| 26 | ASN | GLU | ARG | PHE | ARG | CYS | PRO | GLU | ALA | LEU | ||||
| 27 | PHE | GLN | PRO | SER | PHE | LEU | GLY | MET | GLU | ALA | ||||
| 28 | CYS | GLY | ILE | HIS | GLU | THR | THR | TYR | ASN | SER | ||||
| 29 | ILE | MET | LYS | CYS | ASP | VAL | ASP | ILE | ARG | LYS | ||||
| 30 | ASP | LEU | TYR | ALA | ASN | THR | VAL | LEU | SER | GLY | ||||
| 31 | GLY | THR | THR | MET | TYR | PRO | GLY | ILE | ALA | ASP | ||||
| 32 | ARG | MET | GLN | LYS | GLU | ILE | THR | ALA | LEU | ALA | ||||
| 33 | PRO | SER | THR | MET | LYS | ILE | LYS | ILE | ILE | ALA | ||||
| 34 | PRO | PRO | GLU | ARG | LYS | TYR | SER | VAL | TRP | ILE | ||||
| 35 | GLY | GLY | SER | ILE | LEU | ALA | SER | LEU | SER | THR | ||||
| 36 | PHE | GLN | GLN | MET | TRP | ILE | SER | LYS | GLN | GLU | ||||
| 37 | TYR | ASP | GLU | SER | GLY | PRO | SER | ILE | VAL | HIS | ||||
| 38 | ARG | LYS | CYS | PHE |
Entity 2, ATP - C10 H16 N5 O13 P3 - 507.181 Da.
| 1 | ATP |
Entity 3, CA - Ca - 40.078 Da.
| 1 | CA |
Samples:
sample_1: ACTIN, [U-2H]; [d1-methyl-13C, 1H-Ile], 100 uM; ATP 0.2 mM; HEPES (pH 7.0) 10 mM; CALCIUM CHLORIDE 0.2 mM; potassium chloride 50 mM; sodium azide 1 mM; TCEP 1 mM
sample_conditions_1: pH: 7.0; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HMQC | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe v10.1 - processing
ANALYSIS v2.4.2 - chemical shift assignment, peak picking
NMR spectrometers:
- Varian DD2 600 MHz