BMRB Entry 50942
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50942
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Title: NMR backbone resonance assignment of the pro-apoptotic Bak in its apo state PubMed: 34523144
Deposition date: 2021-05-14 Original release date: 2021-06-15
Authors: Sperl, Laura; Hagn, Franz
Citation: Sperl, Laura; Ruehrnoessl, Florian; Schiller, Anita; Haslbeck, Martin; Hagn, Franz. "High-resolution analysis of the conformational transition of pro-apoptotic Bak at the lipid membrane" EMBO J. 40, e107159-e107159 (2021).
Assembly members:
entity_1, polymer, 214 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21a
Entity Sequences (FASTA):
entity_1: MEASASGQGPGPPRQECGEP
ALPSASEEQVAQDTEEVFRS
YVFYRHQQEQEAEGVAAPAD
PEMVTLPLQPSSTMGQVGRQ
LAIIGDDINRRYDSEFQTML
QHLQPTAENAYEYFTKIATS
LFESGINWGRVVALLGFGYR
LALHVYQHGLTGFLGQVTRF
VVDFMLHHCIARWIAQRGGW
VAALNLGNGPILNVLVVLGV
VLLGQFVVRRFFKS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 398 |
| 15N chemical shifts | 139 |
| 1H chemical shifts | 139 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Bak | 1 |
Entities:
Entity 1, Bak 214 residues - Formula weight is not available
| 1 | MET | GLU | ALA | SER | ALA | SER | GLY | GLN | GLY | PRO | ||||
| 2 | GLY | PRO | PRO | ARG | GLN | GLU | CYS | GLY | GLU | PRO | ||||
| 3 | ALA | LEU | PRO | SER | ALA | SER | GLU | GLU | GLN | VAL | ||||
| 4 | ALA | GLN | ASP | THR | GLU | GLU | VAL | PHE | ARG | SER | ||||
| 5 | TYR | VAL | PHE | TYR | ARG | HIS | GLN | GLN | GLU | GLN | ||||
| 6 | GLU | ALA | GLU | GLY | VAL | ALA | ALA | PRO | ALA | ASP | ||||
| 7 | PRO | GLU | MET | VAL | THR | LEU | PRO | LEU | GLN | PRO | ||||
| 8 | SER | SER | THR | MET | GLY | GLN | VAL | GLY | ARG | GLN | ||||
| 9 | LEU | ALA | ILE | ILE | GLY | ASP | ASP | ILE | ASN | ARG | ||||
| 10 | ARG | TYR | ASP | SER | GLU | PHE | GLN | THR | MET | LEU | ||||
| 11 | GLN | HIS | LEU | GLN | PRO | THR | ALA | GLU | ASN | ALA | ||||
| 12 | TYR | GLU | TYR | PHE | THR | LYS | ILE | ALA | THR | SER | ||||
| 13 | LEU | PHE | GLU | SER | GLY | ILE | ASN | TRP | GLY | ARG | ||||
| 14 | VAL | VAL | ALA | LEU | LEU | GLY | PHE | GLY | TYR | ARG | ||||
| 15 | LEU | ALA | LEU | HIS | VAL | TYR | GLN | HIS | GLY | LEU | ||||
| 16 | THR | GLY | PHE | LEU | GLY | GLN | VAL | THR | ARG | PHE | ||||
| 17 | VAL | VAL | ASP | PHE | MET | LEU | HIS | HIS | CYS | ILE | ||||
| 18 | ALA | ARG | TRP | ILE | ALA | GLN | ARG | GLY | GLY | TRP | ||||
| 19 | VAL | ALA | ALA | LEU | ASN | LEU | GLY | ASN | GLY | PRO | ||||
| 20 | ILE | LEU | ASN | VAL | LEU | VAL | VAL | LEU | GLY | VAL | ||||
| 21 | VAL | LEU | LEU | GLY | GLN | PHE | VAL | VAL | ARG | ARG | ||||
| 22 | PHE | PHE | LYS | SER |
Samples:
sample_1: Bak, [U-100% 13C; U-100% 15N], 200 uM; sodium phosphate 20 mM; EDTA 0.5 mM; DTT 2 mM
sample_conditions_1: ionic strength: 50 mM; pH: 6.8; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D 15N-separated NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN - collection, processing
NMRFAM-SPARKY - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE III 950 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts