BMRB Entry 15518
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15518
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Title: 1H, 15N, 13CO, 13Calpha and 13Cbeta Chemical Shift Assignments of Human Peroxisome Proliferator-Activated Receptor Gamma Ligand-Binding Domain Bound to GW1929 PubMed: 17980149
Deposition date: 2007-10-11 Original release date: 2008-01-11
Authors: Lu, Jianyun
Citation: Lu, Jianyun; Chen, Minghe; Stanley, Susan; Li, Ellen. "Effect of Heterodimer Partner RXRalpha on PPARgamma Activation Function-2 Helix in Solution" Biochem. Biophys. Res. Commun. 365, 42-46 (2008).
Assembly members:
Peroxisome_Proliferator-Activated_Receptor_Gamma_Ligand-Binding_Domain, polymer, 279 residues, Formula weight is not available
GW1929, non-polymer, 495.57 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: pET15b
Entity Sequences (FASTA):
Peroxisome_Proliferator-Activated_Receptor_Gamma_Ligand-Binding_Domain: GSHMQLNPESADLRALAKHL
YDSYIKSFPLTKAKARAILT
GKTTDKSPFVIYDMNSLMMG
EDKIKFKHITPLQEQSKEVA
IRIFQGCQFRSVEAVQEITE
YAKSIPGFVNLDLNDQVTLL
KYGVHEIIYTMLASLMNKDG
VLISEGQGFMTREFLKSLRK
PFGDFMEPKFEFAVKFNALE
LDDSDLAIFIAVIILSGDRP
GLLNVKPIEDIQDNLLQALE
LQLKLNHPESSQLFAKLLQK
MTDLRQIVTEHVQLLQVIKK
TETDMSLHPLLQEIYKDLY
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 772 |
| 15N chemical shifts | 244 |
| 1H chemical shifts | 244 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PPARgamma LBD | 1 |
| 2 | GW1929 | 2 |
Entities:
Entity 1, PPARgamma LBD 279 residues - Formula weight is not available
| 1 | GLY | SER | HIS | MET | GLN | LEU | ASN | PRO | GLU | SER | ||||
| 2 | ALA | ASP | LEU | ARG | ALA | LEU | ALA | LYS | HIS | LEU | ||||
| 3 | TYR | ASP | SER | TYR | ILE | LYS | SER | PHE | PRO | LEU | ||||
| 4 | THR | LYS | ALA | LYS | ALA | ARG | ALA | ILE | LEU | THR | ||||
| 5 | GLY | LYS | THR | THR | ASP | LYS | SER | PRO | PHE | VAL | ||||
| 6 | ILE | TYR | ASP | MET | ASN | SER | LEU | MET | MET | GLY | ||||
| 7 | GLU | ASP | LYS | ILE | LYS | PHE | LYS | HIS | ILE | THR | ||||
| 8 | PRO | LEU | GLN | GLU | GLN | SER | LYS | GLU | VAL | ALA | ||||
| 9 | ILE | ARG | ILE | PHE | GLN | GLY | CYS | GLN | PHE | ARG | ||||
| 10 | SER | VAL | GLU | ALA | VAL | GLN | GLU | ILE | THR | GLU | ||||
| 11 | TYR | ALA | LYS | SER | ILE | PRO | GLY | PHE | VAL | ASN | ||||
| 12 | LEU | ASP | LEU | ASN | ASP | GLN | VAL | THR | LEU | LEU | ||||
| 13 | LYS | TYR | GLY | VAL | HIS | GLU | ILE | ILE | TYR | THR | ||||
| 14 | MET | LEU | ALA | SER | LEU | MET | ASN | LYS | ASP | GLY | ||||
| 15 | VAL | LEU | ILE | SER | GLU | GLY | GLN | GLY | PHE | MET | ||||
| 16 | THR | ARG | GLU | PHE | LEU | LYS | SER | LEU | ARG | LYS | ||||
| 17 | PRO | PHE | GLY | ASP | PHE | MET | GLU | PRO | LYS | PHE | ||||
| 18 | GLU | PHE | ALA | VAL | LYS | PHE | ASN | ALA | LEU | GLU | ||||
| 19 | LEU | ASP | ASP | SER | ASP | LEU | ALA | ILE | PHE | ILE | ||||
| 20 | ALA | VAL | ILE | ILE | LEU | SER | GLY | ASP | ARG | PRO | ||||
| 21 | GLY | LEU | LEU | ASN | VAL | LYS | PRO | ILE | GLU | ASP | ||||
| 22 | ILE | GLN | ASP | ASN | LEU | LEU | GLN | ALA | LEU | GLU | ||||
| 23 | LEU | GLN | LEU | LYS | LEU | ASN | HIS | PRO | GLU | SER | ||||
| 24 | SER | GLN | LEU | PHE | ALA | LYS | LEU | LEU | GLN | LYS | ||||
| 25 | MET | THR | ASP | LEU | ARG | GLN | ILE | VAL | THR | GLU | ||||
| 26 | HIS | VAL | GLN | LEU | LEU | GLN | VAL | ILE | LYS | LYS | ||||
| 27 | THR | GLU | THR | ASP | MET | SER | LEU | HIS | PRO | LEU | ||||
| 28 | LEU | GLN | GLU | ILE | TYR | LYS | ASP | LEU | TYR |
Entity 2, GW1929 - C30 H29 N3 O4 - 495.57 Da.
| 1 | GW1929 |
Samples:
sample_1: Peroxisome Proliferator-Activated Receptor Gamma Ligand-Binding Domain, [U-13C; U-15N; U-2H], 1.0 mM; potassium phosphate 20 mM; KCl 50 mM; NaN3 0.05%; EDTA-d16 0.5 mM; b-mercaptoethanol-d6 8 mM; H20 95%; D2O 5%
sample_conditions_1: ionic strength: 0.103 M; pH: 7.4; pressure: 1 atm; temperature: 298 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 HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(COCA)CB | sample_1 | isotropic | sample_conditions_1 |
| 4D HNCOCA | sample_1 | isotropic | sample_conditions_1 |
| 4D HNCOi-1CAi | sample_1 | isotropic | sample_conditions_1 |
| 4D HNCACO | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 700 MHz
Related Database Links:
| BMRB | 17975 17976 17977 |
| PDB | |
| DBJ | BAA18949 BAA23354 BAA32540 BAA36485 BAD20642 |
| EMBL | CAA07224 CAA07225 CAA62152 CAA62153 CAA73032 |
| GB | AAA19971 AAA62110 AAA62277 AAA80314 AAB04028 |
| PIR | JE0279 |
| REF | NP_001019803 NP_001028032 NP_001075617 NP_001094391 NP_001106647 |
| SP | O18924 O18971 O19052 O62807 O88275 |
| TPG | DAA16769 |
| AlphaFold | O88275 O18924 O18971 O19052 O62807 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts