BMRB Entry 52248
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52248
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Title: 1H and 15N Chemical Shifts of PICK1 without alpha7nAChR ICD+TMD PubMed: 38691676
Deposition date: 2023-12-20 Original release date: 2024-05-02
Authors: Bondarenko, Vasyl; Chen, Qiang; Tang, Pei
Citation: Bondarenko, Vasyl; Chen, Qiang; Tillman, Tommy; Xu, Yan; Tang, Pei. "Unconventional PDZ Recognition Revealed in a7 nAChR-PICK1 Complexes" ACS Chem. Neurosci. 15, 2070-2079 (2024).
Assembly members:
entity_1, polymer, 89 residues, Formula weight is not available
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: pTBSG1-PICK104
Entity Sequences (FASTA):
entity_1: SMTVPGKVTLQKDAQNLIGI
SIGGGAQYCPCLYIVQVFDN
TPAALDGTVAAGDEITGVNG
RSIKGKTKVEVAKMIQEVKG
EVTIHYNKL
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 81 |
| 1H chemical shifts | 81 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PICK1 | 1 |
Entities:
Entity 1, PICK1 89 residues - Formula weight is not available
| 1 | SER | MET | THR | VAL | PRO | GLY | LYS | VAL | THR | LEU | ||||
| 2 | GLN | LYS | ASP | ALA | GLN | ASN | LEU | ILE | GLY | ILE | ||||
| 3 | SER | ILE | GLY | GLY | GLY | ALA | GLN | TYR | CYS | PRO | ||||
| 4 | CYS | LEU | TYR | ILE | VAL | GLN | VAL | PHE | ASP | ASN | ||||
| 5 | THR | PRO | ALA | ALA | LEU | ASP | GLY | THR | VAL | ALA | ||||
| 6 | ALA | GLY | ASP | GLU | ILE | THR | GLY | VAL | ASN | GLY | ||||
| 7 | ARG | SER | ILE | LYS | GLY | LYS | THR | LYS | VAL | GLU | ||||
| 8 | VAL | ALA | LYS | MET | ILE | GLN | GLU | VAL | LYS | GLY | ||||
| 9 | GLU | VAL | THR | ILE | HIS | TYR | ASN | LYS | LEU |
Samples:
sample_1: PICK1 PDZ domain for alpha7nAChR binding, [U-100% 15N], 70 ± 5 uM; TRIS 25 mM; sodium chloride 125 mM; DSS 20 uM; LDAO 1.5 mM
sample_conditions_1: ionic strength: 125 mM; pH: 7.4; pressure: 1 atm; temperature: 288 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.2 - collection
NMRPipe v10.9 - processing
NMRFAM-SPARKY v1.470 - data analysis
SPARKY v3.190 - data analysis
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