BMRB Entry 53393

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53393

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Title:
Human PPARa AB domain
Deposition date:
2025-10-16
Original release date:
2026-09-08
Authors:
Lalic, Milena Rankilde; Kragelund, Birthe Brandt
Citation:

Citation: Lalic, Milena; Thomsen, Elisabeth; Thomasen, F.; Udupa, Aditya; Andersen, Emma; Kuppermann, Sonja; Christensen, Casper; Holm-Olesen, Emma; Saar, Daniel; Prestel, Andreas; Bauer, Lukas; McKenna, Joseph; Olsen, Johan; Mandrup, Susanne; Hartmann-Petersen, Rasmus; Jeffries, Cy; Staller, Max; Lindorff-Larsen, Kresten; Kragelund, Birthe. "Autoinhibition of untimely DNA binding by structural disorder in the full-length peroxisome proliferator-activated receptors (PPARs) "  Nat. Commun. ., .-. (2026).

Assembly members:

Assembly members:
entity_1, polymer, 100 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET24a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MVDTESPLCPLSPLEAGDLE SPLSEEFLQEMGNIQEISQS IGEDSSGSFGFTEYQYLGSC PGSDGSVITDTLSPASSPSS VTYPVVPGSVDESPSGALNI

Data sets:
Data typeCount
13C chemical shifts182
15N chemical shifts88
1H chemical shifts88

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1PPARa AB domain1

Entities:

Entity 1, PPARa AB domain 100 residues - Formula weight is not available

1   METVALASPTHRGLUSERPROLEUCYSPRO
2   LEUSERPROLEUGLUALAGLYASPLEUGLU
3   SERPROLEUSERGLUGLUPHELEUGLNGLU
4   METGLYASNILEGLNGLUILESERGLNSER
5   ILEGLYGLUASPSERSERGLYSERPHEGLY
6   PHETHRGLUTYRGLNTYRLEUGLYSERCYS
7   PROGLYSERASPGLYSERVALILETHRASP
8   THRLEUSERPROALASERSERPROSERSER
9   VALTHRTYRPROVALVALPROGLYSERVAL
10   ASPGLUSERPROSERGLYALALEUASNILE

Samples:

sample_1: PPARa AB domain, [U-100% 13C; U-100% 15N], 350 uM; salt 135 mM

sample_conditions_1: ionic strength: 0.135 M; pH: 7.3; pressure: 1 atm; temperature: 278.15 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1

Software:

ANALYSIS - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE NEO 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks