BMRB Entry 52249
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52249
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
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).
PubMed: 38691676
Assembly members:
entity_1, polymer, 89 residues, Formula weight is not available
entity_2, polymer, 271 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
entity_2: NAEEELYYGLNLLIPCVLIS
ALALLVFLLPADSGEKISLG
ITVLLSLTVFMLLVAEIMPS
TSDSSPSIAQYFASTMIIVG
LSVVVTVIVLQYHHHDPDGG
KMPKWTRVILLNWCAWFLRM
KRPGEDKVRPACQHKQRRCS
LASVEMSAVAPPPASNGNLL
YIGFRGLDGVHCVPTPDSGV
VCGRMACSPTHDEHLLHGGQ
PPEGDPDLAKILEEVRYIAN
RFRCQDESEAVCSEWKFAAC
VVDRLCLMAFSVFTIICTIG
ILMSAPNFVEE
- 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 |
| 2 | alpha7ACHR, chain A | 2 |
| 3 | alpha7ACHR, chain B | 2 |
| 4 | alpha7ACHR, chain C | 2 |
| 5 | alpha7ACHR, chain D | 2 |
| 6 | alpha7ACHR, chain E | 2 |
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 |
Entity 2, alpha7ACHR, chain A 271 residues - Formula weight is not available
Intracellular and transmembrane domains of human alpha7 nicotinic acetylcholine receptor: chain A, B, C, D, E
| 1 | ASN | ALA | GLU | GLU | GLU | LEU | TYR | TYR | GLY | LEU | ||||
| 2 | ASN | LEU | LEU | ILE | PRO | CYS | VAL | LEU | ILE | SER | ||||
| 3 | ALA | LEU | ALA | LEU | LEU | VAL | PHE | LEU | LEU | PRO | ||||
| 4 | ALA | ASP | SER | GLY | GLU | LYS | ILE | SER | LEU | GLY | ||||
| 5 | ILE | THR | VAL | LEU | LEU | SER | LEU | THR | VAL | PHE | ||||
| 6 | MET | LEU | LEU | VAL | ALA | GLU | ILE | MET | PRO | SER | ||||
| 7 | THR | SER | ASP | SER | SER | PRO | SER | ILE | ALA | GLN | ||||
| 8 | TYR | PHE | ALA | SER | THR | MET | ILE | ILE | VAL | GLY | ||||
| 9 | LEU | SER | VAL | VAL | VAL | THR | VAL | ILE | VAL | LEU | ||||
| 10 | GLN | TYR | HIS | HIS | HIS | ASP | PRO | ASP | GLY | GLY | ||||
| 11 | LYS | MET | PRO | LYS | TRP | THR | ARG | VAL | ILE | LEU | ||||
| 12 | LEU | ASN | TRP | CYS | ALA | TRP | PHE | LEU | ARG | MET | ||||
| 13 | LYS | ARG | PRO | GLY | GLU | ASP | LYS | VAL | ARG | PRO | ||||
| 14 | ALA | CYS | GLN | HIS | LYS | GLN | ARG | ARG | CYS | SER | ||||
| 15 | LEU | ALA | SER | VAL | GLU | MET | SER | ALA | VAL | ALA | ||||
| 16 | PRO | PRO | PRO | ALA | SER | ASN | GLY | ASN | LEU | LEU | ||||
| 17 | TYR | ILE | GLY | PHE | ARG | GLY | LEU | ASP | GLY | VAL | ||||
| 18 | HIS | CYS | VAL | PRO | THR | PRO | ASP | SER | GLY | VAL | ||||
| 19 | VAL | CYS | GLY | ARG | MET | ALA | CYS | SER | PRO | THR | ||||
| 20 | HIS | ASP | GLU | HIS | LEU | LEU | HIS | GLY | GLY | GLN | ||||
| 21 | PRO | PRO | GLU | GLY | ASP | PRO | ASP | LEU | ALA | LYS | ||||
| 22 | ILE | LEU | GLU | GLU | VAL | ARG | TYR | ILE | ALA | ASN | ||||
| 23 | ARG | PHE | ARG | CYS | GLN | ASP | GLU | SER | GLU | ALA | ||||
| 24 | VAL | CYS | SER | GLU | TRP | LYS | PHE | ALA | ALA | CYS | ||||
| 25 | VAL | VAL | ASP | ARG | LEU | CYS | LEU | MET | ALA | PHE | ||||
| 26 | SER | VAL | PHE | THR | ILE | ILE | CYS | THR | ILE | GLY | ||||
| 27 | ILE | LEU | MET | SER | ALA | PRO | ASN | PHE | VAL | GLU | ||||
| 28 | GLU |
Samples:
sample_1: PICK1 PDZ domain for alpha7nAChR binding, [U-100% 15N], 70 uM; alpha7nAChR TMD+ICD 10 uM; TRIS 25 mM; sodium chloride 125 mM; DSS 20 uM
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 peaks
SPARKY: Backbone
or all simulated peaks