BMRB Entry 51580
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51580
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Title: Androgen receptor (AR) polyQ derived peptide L4Q16 variant Q1E PubMed: 36400768
Deposition date: 2022-08-16 Original release date: 2022-11-04
Authors: Escobedo, Albert; Piccirillo, Jonathan; Aranda, Juan; Diercks, Tammo; Mateos, Borja; Garcia-Cabau, Carla; Sanchez-Navarro, Macarena; Topal, Busra; Biesaga, Mateusz; Staby, Lasse; Kragelund, Birthe; Garcia, Jesus; Millet, Oscar; Orozco, Modesto; Coles, Murray; Crehuet, Ramon; Salvatella, Xavier
Citation: Escobedo, Albert; Piccirillo, Jonathan; Aranda, Juan; Diercks, Tammo; Mateos, Borja; Garcia-Cabau, Carla; Sanchez-Navarro, Macarena; Topal, Busra; Biesaga, Mateusz; Staby, Lasse; Kragelund, Birthe; Garcia, Jesus; Millet, Oscar; Orozco, Modesto; Coles, Murray; Crehuet, Ramon; Salvatella, Xavier. "A glutamine-based single alpha-helix scaffold to target globular proteins" Nat. Commun. 13, 7073-7073 (2022).
Assembly members:
entity_1, polymer, 29 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: pDEST17
Entity Sequences (FASTA):
entity_1: KKPGASLLLLEQQQQQQQQQ
QQQQQQKKY
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 160 |
| 15N chemical shifts | 83 |
| 1H chemical shifts | 83 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Q1E | 1 |
Entities:
Entity 1, Q1E 29 residues - Formula weight is not available
| 1 | LYS | LYS | PRO | GLY | ALA | SER | LEU | LEU | LEU | LEU | ||||
| 2 | GLU | GLN | GLN | GLN | GLN | GLN | GLN | GLN | GLN | GLN | ||||
| 3 | GLN | GLN | GLN | GLN | GLN | GLN | LYS | LYS | TYR |
Samples:
sample_1: Q1E, [U-100% 13C; U-100% 15N], 100 uM; DSS 10 uM; sodium phosphate 20 mM
sample_2: Q1E, [U-100% 13C; U-100% 15N], 100 uM; DSS 10 uM; phosphoric acid 20 mM
sample_conditions_1: ionic strength: 120 mM; pH: 7.4; pressure: 1 atm; temperature: 278 K
sample_conditions_2: ionic strength: 90 mM; pH: 2.8; pressure: 1 atm; temperature: 278 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
| 2D CACO | sample_1 | isotropic | sample_conditions_1 |
| 2D CON | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_2 |
| 3D HN(CA)CO | sample_2 | isotropic | sample_conditions_2 |
| 3D HN(CO)CA | sample_2 | isotropic | sample_conditions_2 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_2 |
| 3D HN(CO)CACB | sample_2 | isotropic | sample_conditions_2 |
| 2D CON | sample_2 | isotropic | sample_conditions_2 |
| 2D CACO | sample_2 | isotropic | sample_conditions_2 |
Software:
CcpNMR - chemical shift assignment
TOPSPIN - collection, processing
NMRPipe - processing
qMDD - processing
NMR spectrometers:
- Bruker AVANCE NEO 800 MHz
- Bruker AVANCE III 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts