BMRB Entry 34617

Title:
Solution NMR Structure of the Neh1 Domain of Human Nuclear factor erythroid 2-related factor 2 (NRF2)
Deposition date:
2021-04-13
Original release date:
2021-09-24
Authors:
Brueschweiler, S.
Citation:

Citation: Bruschweiler, Sven; Fuchs, Julian; Bader, Gerd; McConnell, Darryl; Konrat, Robert; Mayer, Moriz. "A Step toward NRF2-DNA Interaction Inhibitors by Fragment-Based NMR Methods"  ChemMedChem 16, 3576-3587 (2021).
PubMed: 34524728

Assembly members:

Assembly members:
entity_1, polymer, 81 residues, 9422.029 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

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts209
15N chemical shifts61
1H chemical shifts258

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 81 residues - 9422.029 Da.

1   GLYALALYSHISSERSERARGLEUGLUALA
2   HISLEUTHRARGASPGLULEUARGALALYS
3   ALALEUHISILEPROPHEPROVALGLULYS
4   ILEILEASNLEUPROVALVALASPPHEASN
5   GLUMETMETSERLYSGLUGLNPHEASNGLU
6   ALAGLNLEUALALEUILEARGASPILEARG
7   ARGARGGLYLYSASNLYSVALALAALAGLN
8   ASNCYSARGLYSARGLYSLEUGLUASNILE
9   VAL

Samples:

sample_1: neh1, [U-100% 13C; U-100% 15N], 0.5 mM

sample_conditions_1: ionic strength: 150 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D (H)CCONNHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

CCNMR, Skinner, Fogh, Boucher, Ragan, Mureddu, and Vuister - data analysis

ARIA, Linge, O'Donoghue and Nilges - structure calculation

NMR spectrometers:

  • Bruker AVANCE III HD 800 MHz
  • Bruker Avance NOE 600 MHz

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