BMRB Entry 51479
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51479
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Title: Androgen Receptor AF1star PubMed: 38049566
Deposition date: 2022-06-02 Original release date: 2022-09-30
Authors: Garcia, Jesus; Fenwick, Robert; de Mol, Eva; Salvatella, Xavier
Citation: Basu, Shaon; Martinez-Cristobal, Paula; Frigole-Vivas, Marta; Pesarrodona, Mireia; Lewis, Michael; Szulc, Elzbieta; Banuelos, C Adriana; Sanchez-Zarzalejo, Carolina; Bielskute, Stase; Zhu, Jiaqi; Pombo-Garcia, Karina; Garcia-Cabau, Carla; Zodi, Levente; Dockx, Hannes; Smak, Jordann; Kaur, Harpreet; Batlle, Cristina; Mateos, Borja; Biesaga, Mateusz; Escobedo, Albert; Bardia, Lidia; Verdaguer, Xavier; Ruffoni, Alessandro; Mawji, Nasrin; Wang, Jun; Obst, Jon; Tam, Teresa; Brun-Heath, Isabelle; Ventura, Salvador; Meierhofer, David; Garcia, Jesus; Robustelli, Paul; Stracker, Travis; Sadar, Marianne; Riera, Antoni; Hnisz, Denes; Salvatella, Xavier. "Rational optimization of a transcription factor activation domain inhibitor" Nat. Struct. Mol. Biol. 30, 1958-1969 (2023).
Assembly members:
entity_1, polymer, 308 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: pDEST
Entity Sequences (FASTA):
entity_1: GGLPQQLPAPPDEDDSAAPS
TLSLLGPTFPGLSSCSADLK
DILSEASTMQLLQQQQQEAV
SEGSSSGRAREASGAPTSSK
DNYLGGTSTISDNAKELCKA
VSVSMGLGVEALEHLSPGEQ
LRGDCMYAPLLGVPPAVRPT
PCAPLAECKGSLLDDSAGKS
TEDTAEYSPFKGGYTKGLEG
ESLGCSGSAAAGSSGTLELP
STLSLYKSGALDEAAAYQSR
DYYNFPLALAGPPPPPPPPH
PHARIKLENPLDYGSAWAAA
AAQCRYGDLASLHGAGAAGP
GSGSPSAAASSSWHTLFTAE
EGQLYGPC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 855 |
| 15N chemical shifts | 274 |
| 1H chemical shifts | 274 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Androgen Receptor AF1star | 1 |
Entities:
Entity 1, Androgen Receptor AF1star 308 residues - Formula weight is not available
| 1 | GLY | GLY | LEU | PRO | GLN | GLN | LEU | PRO | ALA | PRO | ||||
| 2 | PRO | ASP | GLU | ASP | ASP | SER | ALA | ALA | PRO | SER | ||||
| 3 | THR | LEU | SER | LEU | LEU | GLY | PRO | THR | PHE | PRO | ||||
| 4 | GLY | LEU | SER | SER | CYS | SER | ALA | ASP | LEU | LYS | ||||
| 5 | ASP | ILE | LEU | SER | GLU | ALA | SER | THR | MET | GLN | ||||
| 6 | LEU | LEU | GLN | GLN | GLN | GLN | GLN | GLU | ALA | VAL | ||||
| 7 | SER | GLU | GLY | SER | SER | SER | GLY | ARG | ALA | ARG | ||||
| 8 | GLU | ALA | SER | GLY | ALA | PRO | THR | SER | SER | LYS | ||||
| 9 | ASP | ASN | TYR | LEU | GLY | GLY | THR | SER | THR | ILE | ||||
| 10 | SER | ASP | ASN | ALA | LYS | GLU | LEU | CYS | LYS | ALA | ||||
| 11 | VAL | SER | VAL | SER | MET | GLY | LEU | GLY | VAL | GLU | ||||
| 12 | ALA | LEU | GLU | HIS | LEU | SER | PRO | GLY | GLU | GLN | ||||
| 13 | LEU | ARG | GLY | ASP | CYS | MET | TYR | ALA | PRO | LEU | ||||
| 14 | LEU | GLY | VAL | PRO | PRO | ALA | VAL | ARG | PRO | THR | ||||
| 15 | PRO | CYS | ALA | PRO | LEU | ALA | GLU | CYS | LYS | GLY | ||||
| 16 | SER | LEU | LEU | ASP | ASP | SER | ALA | GLY | LYS | SER | ||||
| 17 | THR | GLU | ASP | THR | ALA | GLU | TYR | SER | PRO | PHE | ||||
| 18 | LYS | GLY | GLY | TYR | THR | LYS | GLY | LEU | GLU | GLY | ||||
| 19 | GLU | SER | LEU | GLY | CYS | SER | GLY | SER | ALA | ALA | ||||
| 20 | ALA | GLY | SER | SER | GLY | THR | LEU | GLU | LEU | PRO | ||||
| 21 | SER | THR | LEU | SER | LEU | TYR | LYS | SER | GLY | ALA | ||||
| 22 | LEU | ASP | GLU | ALA | ALA | ALA | TYR | GLN | SER | ARG | ||||
| 23 | ASP | TYR | TYR | ASN | PHE | PRO | LEU | ALA | LEU | ALA | ||||
| 24 | GLY | PRO | PRO | PRO | PRO | PRO | PRO | PRO | PRO | HIS | ||||
| 25 | PRO | HIS | ALA | ARG | ILE | LYS | LEU | GLU | ASN | PRO | ||||
| 26 | LEU | ASP | TYR | GLY | SER | ALA | TRP | ALA | ALA | ALA | ||||
| 27 | ALA | ALA | GLN | CYS | ARG | TYR | GLY | ASP | LEU | ALA | ||||
| 28 | SER | LEU | HIS | GLY | ALA | GLY | ALA | ALA | GLY | PRO | ||||
| 29 | GLY | SER | GLY | SER | PRO | SER | ALA | ALA | ALA | SER | ||||
| 30 | SER | SER | TRP | HIS | THR | LEU | PHE | THR | ALA | GLU | ||||
| 31 | GLU | GLY | GLN | LEU | TYR | GLY | PRO | CYS |
Samples:
sample_1: Androgen Receptor AF1star, [U-100% 13C; U-100% 15N], 380 uM; D2O 10%; sodium phosphate 20 mM; sodium azide 0.05%; TCEP 1 mM
sample_conditions_1: ionic strength: 0 M; pH: 7.4; pressure: 1 atm; temperature: 278 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCANH | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe - processing
CcpNMR - chemical shift assignment
NMR spectrometers:
- Bruker DRX 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts