BMRB Entry 50251

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50251

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
Heme-bound REV-ERBb ligand binding domain (LBD)
Deposition date:
2020-04-29
Original release date:
2021-12-15
Authors:
Mosure, Sarah; Kojetin, Douglas
Citation:

Citation: Mosure, Sarah; Strutzenberg, Timothy; Shang, Jinsai; Munoz-Tello, Paola; Solt, Laura; Griffin, Patrick; Kojetin, Douglas. "Structural basis for heme-dependent NCoR binding to the transcriptional repressor REV-ERBb"  Sci. Adv. 7, eabc6479-eabc6479 (2021).
PubMed: 33571111

Assembly members:

Assembly members:
entity_1, polymer, 200 residues, Formula weight is not available
entity_HEM, non-polymer, 616.487 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: GPHLVCPMSKSPYVDPHKSG HEIWEEFSMSFTPAVKEVVE FAKRIPGFRDLSQHDQVNLL KAGTFEVLMVRFASLFDAKE RTVTFLSGKKYSVDDLHSMG AGDLLNSMFEFSEKLNALQL SDEEMSLFTAVVLVSADRSG IENVNSVEALQETLIRALRT LIMKNHPNEASIFTKLLLKL PDLRSLNNMHSEELLAFKVH

Data sets:
Data typeCount
13C chemical shifts283
15N chemical shifts90
1H chemical shifts90

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1LBD1
2Heme2

Entities:

Entity 1, LBD 200 residues - Formula weight is not available

1   GLYPROHISLEUVALCYSPROMETSERLYS
2   SERPROTYRVALASPPROHISLYSSERGLY
3   HISGLUILETRPGLUGLUPHESERMETSER
4   PHETHRPROALAVALLYSGLUVALVALGLU
5   PHEALALYSARGILEPROGLYPHEARGASP
6   LEUSERGLNHISASPGLNVALASNLEULEU
7   LYSALAGLYTHRPHEGLUVALLEUMETVAL
8   ARGPHEALASERLEUPHEASPALALYSGLU
9   ARGTHRVALTHRPHELEUSERGLYLYSLYS
10   TYRSERVALASPASPLEUHISSERMETGLY
11   ALAGLYASPLEULEUASNSERMETPHEGLU
12   PHESERGLULYSLEUASNALALEUGLNLEU
13   SERASPGLUGLUMETSERLEUPHETHRALA
14   VALVALLEUVALSERALAASPARGSERGLY
15   ILEGLUASNVALASNSERVALGLUALALEU
16   GLNGLUTHRLEUILEARGALALEUARGTHR
17   LEUILEMETLYSASNHISPROASNGLUALA
18   SERILEPHETHRLYSLEULEULEULYSLEU
19   PROASPLEUARGSERLEUASNASNMETHIS
20   SERGLUGLULEULEUALAPHELYSVALHIS

Entity 2, Heme - C34 H32 Fe N4 O4 - 616.487 Da.

1   HEM

Samples:

sample_1: REV-ERBb LBD, [U-100% 13C; U-100% 15N; U-80% 2H], 1 mM

sample_conditions_1: ionic strength: 50 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hsample_1isotropicsample_conditions_1
2D TROSY 1H-15N HSQCsample_1isotropicsample_conditions_1
3D TROSY-HNCOsample_1isotropicsample_conditions_1
3D TROSY-HN(CA)COsample_1isotropicsample_conditions_1
3D TROSY-HNCAsample_1isotropicsample_conditions_1
3D TROSY-HN(CO)CAsample_1isotropicsample_conditions_1
3D TROSY-HN(CA)CBsample_1isotropicsample_conditions_1
3D TROSY-HN(COCA)CBsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3 - collection

NMRFx Processor v10.3 - processing

NMRViewJ v9.2 - chemical shift calculation, peak picking

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