BMRB Entry 50000

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50000

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Title:
PPARg LBD bound to the inverse agonist T0070907 and NCoR corepressor peptide
Deposition date:
2019-07-17
Original release date:
2020-09-21
Authors:
Kojetin, Douglas; Shang, Jinsai
Citation:

Citation: Shang, Jinsai; Mosure, Sarah; Zheng, Jie; Brust, Richard; Bass, Jared; Nichols, Ashley; Solt, Laura; Griffin, Patrick; Kojetin, Douglas. "A molecular switch regulating transcriptional repression and activation of PPARgamma"  Nat. Commun. 11, 956-956 (2020).
PubMed: 32075969

Assembly members:

Assembly members:
entity_1, polymer, 277 residues, Formula weight is not available
entity_EEY, non-polymer, 277.663 Da.

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: pET46

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSQLNPESADLRALAKHLYD SYIKSFPLTKAKARAILTGK TTDKSPFVIYDMNSLMMGED KIKFKHITPLQEQSKEVAIR IFQGCQFRSVEAVQEITEYA KSIPGFVNLDLNDQVTLLKY GVHEIIYTMLASLMNKDGVL ISEGQGFMTREFLKSLRKPF GDFMEPKFEFAVKFNALELD DSDLAIFIAVIILSGDRPGL LNVKPIEDIQDNLLQALELQ LKLNHPESSQLFAKLLQKMT DLRQIVTEHVQLLQVIKKTE TDMSLHPLLQEIYKDLY

Data sets:
Data typeCount
13C chemical shifts739
15N chemical shifts237
1H chemical shifts237

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1PPARG1
2T00709072

Entities:

Entity 1, PPARG 277 residues - Formula weight is not available

1   GLYSERGLNLEUASNPROGLUSERALAASP
2   LEUARGALALEUALALYSHISLEUTYRASP
3   SERTYRILELYSSERPHEPROLEUTHRLYS
4   ALALYSALAARGALAILELEUTHRGLYLYS
5   THRTHRASPLYSSERPROPHEVALILETYR
6   ASPMETASNSERLEUMETMETGLYGLUASP
7   LYSILELYSPHELYSHISILETHRPROLEU
8   GLNGLUGLNSERLYSGLUVALALAILEARG
9   ILEPHEGLNGLYCYSGLNPHEARGSERVAL
10   GLUALAVALGLNGLUILETHRGLUTYRALA
11   LYSSERILEPROGLYPHEVALASNLEUASP
12   LEUASNASPGLNVALTHRLEULEULYSTYR
13   GLYVALHISGLUILEILETYRTHRMETLEU
14   ALASERLEUMETASNLYSASPGLYVALLEU
15   ILESERGLUGLYGLNGLYPHEMETTHRARG
16   GLUPHELEULYSSERLEUARGLYSPROPHE
17   GLYASPPHEMETGLUPROLYSPHEGLUPHE
18   ALAVALLYSPHEASNALALEUGLULEUASP
19   ASPSERASPLEUALAILEPHEILEALAVAL
20   ILEILELEUSERGLYASPARGPROGLYLEU
21   LEUASNVALLYSPROILEGLUASPILEGLN
22   ASPASNLEULEUGLNALALEUGLULEUGLN
23   LEULYSLEUASNHISPROGLUSERSERGLN
24   LEUPHEALALYSLEULEUGLNLYSMETTHR
25   ASPLEUARGGLNILEVALTHRGLUHISVAL
26   GLNLEULEUGLNVALILELYSLYSTHRGLU
27   THRASPMETSERLEUHISPROLEULEUGLN
28   GLUILETYRLYSASPLEUTYR

Entity 2, T0070907 - C12 H8 Cl N3 O3 - 277.663 Da.

1   EEY

Samples:

sample_1: entity_1, [U-100% 13C; U-100% 15N; U-70% 2H], 1 mM; potassium phosphate 20 mM; potassium chloride 50 mM; tris(2-carboxyethyl)phosphine 1 mM

sample_conditions_1: ionic strength: 70 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HN(CA)CBsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1
2D 1H-15N TROSY HSQCsample_1isotropicsample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment

TOPSPIN, Bruker Biospin - collection

NMRFx Processor, Johnson, One Moon Scientific - processing

NMR spectrometers:

  • Bruker Avance 700 MHz

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