BMRB Entry 34621

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34621
MolProbity Validation Chart

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Title:
NMR structure of the Bak transmembrane helix in DPC micelles
Deposition date:
2021-05-05
Original release date:
2021-06-22
Authors:
Sperl, L.; Hagn, F.
Citation:

Citation: Sperl, L.; Ruhrnossl, F.; Schiller, A.; Haslbeck, M.; Hagn, F.. "High-resolution analysis of the conformational transition of pro-apoptotic Bak at the lipid membrane"  EMBO J. 40, e107159-e107159 (2021).
PubMed: 34523144

Assembly members:

Assembly members:
entity_1, polymer, 30 residues, 3244.936 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):

Entity Sequences (FASTA):
entity_1: SLGNGPILNVLVVLGVVLLG QFVVRRFFKS

Data sets:
Data typeCount
13C chemical shifts49
15N chemical shifts24
1H chemical shifts24

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 30 residues - 3244.936 Da.

1   SERLEUGLYASNGLYPROILELEUASNVAL
2   LEUVALVALLEUGLYVALVALLEULEUGLY
3   GLNPHEVALVALARGARGPHEPHELYSSER

Samples:

sample_1: Bak-TMH, [U-13C; U-15N; U-2H], 400 uM; sodium phosphate 20 mM; sodium chloride 50 mM; EDTA 0.5 mM; DTT 5 mM; DPC 300 mM

sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

TopSpin, Bruker Biospin - collection, processing

NMRFAM-SPARKY, U Wisconsin-Madison - chemical shift assignment, peak picking

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMR spectrometers:

  • Bruker AVANCE III 800 MHz

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