BMRB Entry 51565
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51565
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Title: Chemical Shift Assignment of Inhibitor-3_1-78 PubMed: 37002212
Deposition date: 2022-08-15 Original release date: 2023-02-02
Authors: Srivastava, Gautam; Bolik-Coulon, Nicolas; Page, Rebecca; Peti, Wolfgang
Citation: Srivastava, Gautam; Choy, Meng; Bolik-Coulon, Nicolas; Page, Rebecca; Peti, Wolfgang. "Inhibitor-3 inhibits Protein Phosphatase 1 via a metal binding dynamic protein-protein interaction" Nat. Commun. 14, 1798-1798 (2023).
Assembly members:
entity_1, polymer, 84 residues, 8725 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: pET-M30_MBP
Entity Sequences (FASTA):
entity_1: GAMGASMAEAGAGLSETVTE
TTVTVTTEPENRSLTIKLRK
RKPEKKVEWTSDTVDNEHMG
RRSSKCCCIYEKPRAFGESS
TESD
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 159 |
| 15N chemical shifts | 74 |
| 1H chemical shifts | 75 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Inhibitor-3_1-78 | 1 |
Entities:
Entity 1, Inhibitor-3_1-78 84 residues - 8725 Da.
Human Inhibitor-3; 78 amino acids starting with MAEAGA
| 1 | GLY | ALA | MET | GLY | ALA | SER | MET | ALA | GLU | ALA | ||||
| 2 | GLY | ALA | GLY | LEU | SER | GLU | THR | VAL | THR | GLU | ||||
| 3 | THR | THR | VAL | THR | VAL | THR | THR | GLU | PRO | GLU | ||||
| 4 | ASN | ARG | SER | LEU | THR | ILE | LYS | LEU | ARG | LYS | ||||
| 5 | ARG | LYS | PRO | GLU | LYS | LYS | VAL | GLU | TRP | THR | ||||
| 6 | SER | ASP | THR | VAL | ASP | ASN | GLU | HIS | MET | GLY | ||||
| 7 | ARG | ARG | SER | SER | LYS | CYS | CYS | CYS | ILE | TYR | ||||
| 8 | GLU | LYS | PRO | ARG | ALA | PHE | GLY | GLU | SER | SER | ||||
| 9 | THR | GLU | SER | ASP |
Samples:
sample_1: Inhibitor-3_1-78, [U-99% 15N], 250 uM; Inhibitor-3_1-78, [U-99% 13C; U-99% 15N], 250 uM; Bis-Tris 20 mM; NaCl 0.1 M; TCEP 0.5 mM
sample_conditions_1: ionic strength: 100 mM; pH: 5.6; pressure: 1 atm; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CARA vCARA_1.9 - chemical shift assignment
TOPSPIN v4.1.3 - collection, processing
SPARKY - chemical shift assignment, data analysis
NMR spectrometers:
- Bruker AVANCE NEO 600 MHz
Related Database Links:
| NCBI | NP_068778.1 |
| PDB |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts