BMRB Entry 36294
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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/BMR36294
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Lv, Fujiao; Qi, Fei; Zhang, Zhi; Wen, Maorong; Kale, Justin; Piai, Alessandro; Du, Lingyu; Wang, Shuqing; Zhou, Liujuan; Yang, Yaqing; Wu, Bin; Liu, Zhijun; Del Rosario, Juan; Pogmore, Justin; Chou, James; Andrews, David; Lin, Jialing; OuYang, Bo. "An amphipathic Bax core dimer forms part of the apoptotic pore wall in the mitochondrial membrane" EMBO J. 40, e106438-e106438 (2021).
PubMed: 34101209
Assembly members:
Apoptosis regulator BAX, polymer, 81 residues, 8990.265 Da.
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 BL21(DE3)
Entity Sequences (FASTA):
Apoptosis regulator BAX: GPGSMDASTKKLSESLKRIG
DELDSNMELQRMIAAVDTDS
PREVFFRVAADMFSDGNFNW
GRVVALFYFASKLVLKALST
K
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 233 |
| 15N chemical shifts | 77 |
| 1H chemical shifts | 77 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1, 1 | 1 |
| 2 | entity_1, 2 | 1 |
Entities:
Entity 1, entity_1, 1 81 residues - 8990.265 Da.
| 1 | GLY | PRO | GLY | SER | MET | ASP | ALA | SER | THR | LYS | ||||
| 2 | LYS | LEU | SER | GLU | SER | LEU | LYS | ARG | ILE | GLY | ||||
| 3 | ASP | GLU | LEU | ASP | SER | ASN | MET | GLU | LEU | GLN | ||||
| 4 | ARG | MET | ILE | ALA | ALA | VAL | ASP | THR | ASP | SER | ||||
| 5 | PRO | ARG | GLU | VAL | PHE | PHE | ARG | VAL | ALA | ALA | ||||
| 6 | ASP | MET | PHE | SER | ASP | GLY | ASN | PHE | ASN | TRP | ||||
| 7 | GLY | ARG | VAL | VAL | ALA | LEU | PHE | TYR | PHE | ALA | ||||
| 8 | SER | LYS | LEU | VAL | LEU | LYS | ALA | LEU | SER | THR | ||||
| 9 | LYS |
Samples:
sample_1: human Bax core domain, [U-98% 15N; U-98% 13C; U-98% 2H], 0.5 mM; DHPC 140 mM; DMPC 100 mM; MES 10 mM; sodium chloride 100 mM; H2O 90%; D2O, [U-2H], 10%
sample_2: Bax a_2_a_5, [U-98% 15N; U-98% 13C], 0.6 mM; DHPC, [U-2H], 160 mM; DMPC, [U-2H], 100 mM; MES 10 mM; sodium chloride 100 mM; H2O 90%; D2O, [U-2H], 10%
sample_3: Bax a_2_a_5, U-98% 15N;U-2H, 0.4 mM; DHPC, [U-2H], 200 mM; DMPC, [U-2H], 120 mM; MES 10 mM; sodium chloride 100 mM; H2O 90%; D2O, [U-2H], 10%
sample_4: Bax a_2_a_5, [U-98% 15N; U-2H], 0.6 mM; DHPC, [U-2H], 160 mM; DMPC 100 mM; MES 10 mM; sodium chloride 100 mM; H2O 90%; D2O, [U-2H], 10%
sample_5: Bax a_2_a_5, [U-98% 15N; U-15% 13C], 0.4 mM; DHPC 140 mM; DMPC 80 mM; MES 10 mM; sodium chloride 100 mM; H2O 90%; D2O, [U-2H], 10%
sample_6: Bax a_2_a_5, [U-98% 13C], 0.4 mM; DHPC, [U-2H], 200 mM; DMPC, [U-2H], 120 mM; MES 10 mM; sodium chloride 100 mM; H2O 90%; D2O, [U-2H], 10%
sample_conditions_1: ionic strength: 100 mM; pH: 6.0; pressure: 1 atm; temperature: 305 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D TROSY-HSQC | sample_1 | isotropic | sample_conditions_1 |
| TROSY-HNCA | sample_1 | isotropic | sample_conditions_1 |
| TROSY-HNCOCA | sample_1 | isotropic | sample_conditions_1 |
| TROSY-HNCACO | sample_1 | isotropic | sample_conditions_1 |
| TROSY-HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D 15N NOE-TROSY-HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 15N NOE-TROSY-HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D 13C NOE-HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D 15N NOE-TROSY-HSQC | sample_3 | isotropic | sample_conditions_1 |
| 2D TROSY-HSQC | sample_3 | isotropic | sample_conditions_1 |
| 3D 15N NOE-TROSY-HSQC | sample_4 | isotropic | sample_conditions_1 |
| 2D TROSY-HSQC | sample_4 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_5 | isotropic | sample_conditions_1 |
| TROSY-HNCACB | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNmr Analysis, CCPN - peak picking
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
TALOS, Cornilescu, Delaglio and Bax - data analysis
TopSpin, Bruker Biospin - collection
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
XEASY, Bartels et al. - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE 600 MHz
- Bruker AVANCE 900 MHz
- Agilent DD2 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks