BMRB Entry 30423
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30423
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Solution NMR structure of human BOK PubMed: 29768206
Deposition date: 2018-03-01 Original release date: 2018-05-04
Authors: Royappa, G.; Zheng, J.; Moldoveanu, T.
Citation: Zheng, Janet; Grace, Christy; Guibao, Cristina; McNamara, Dan; Llambi, Fabien; Wang, Yue-Ming; Chen, Taosheng; Moldoveanu, Tudor. "Intrinsic Instability of BOK Enables Membrane Permeabilization in Apoptosis." Cell Rep. 23, 2083-2094 (2018).
Assembly members:
entity_1, polymer, 158 residues, 17186.006 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 536
Entity Sequences (FASTA):
entity_1: MSPTDKELVAQAKALGREYV
HARLLRAGLSWSAPERAAPV
PGRLAEVAAVLLRLGDELEM
IRPSVYRNVARQLHISLQSE
RVVTDAFLAVAGHIFSAGIT
WGKVVSLYAVAAGLAVDAVR
QAQPAMVHALVDALGEFVRK
TLATWLRRRGGWTDVLKC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 535 |
| 15N chemical shifts | 163 |
| 1H chemical shifts | 1145 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 158 residues - 17186.006 Da.
| 1 | MET | SER | PRO | THR | ASP | LYS | GLU | LEU | VAL | ALA | ||||
| 2 | GLN | ALA | LYS | ALA | LEU | GLY | ARG | GLU | TYR | VAL | ||||
| 3 | HIS | ALA | ARG | LEU | LEU | ARG | ALA | GLY | LEU | SER | ||||
| 4 | TRP | SER | ALA | PRO | GLU | ARG | ALA | ALA | PRO | VAL | ||||
| 5 | PRO | GLY | ARG | LEU | ALA | GLU | VAL | ALA | ALA | VAL | ||||
| 6 | LEU | LEU | ARG | LEU | GLY | ASP | GLU | LEU | GLU | MET | ||||
| 7 | ILE | ARG | PRO | SER | VAL | TYR | ARG | ASN | VAL | ALA | ||||
| 8 | ARG | GLN | LEU | HIS | ILE | SER | LEU | GLN | SER | GLU | ||||
| 9 | ARG | VAL | VAL | THR | ASP | ALA | PHE | LEU | ALA | VAL | ||||
| 10 | ALA | GLY | HIS | ILE | PHE | SER | ALA | GLY | ILE | THR | ||||
| 11 | TRP | GLY | LYS | VAL | VAL | SER | LEU | TYR | ALA | VAL | ||||
| 12 | ALA | ALA | GLY | LEU | ALA | VAL | ASP | ALA | VAL | ARG | ||||
| 13 | GLN | ALA | GLN | PRO | ALA | MET | VAL | HIS | ALA | LEU | ||||
| 14 | VAL | ASP | ALA | LEU | GLY | GLU | PHE | VAL | ARG | LYS | ||||
| 15 | THR | LEU | ALA | THR | TRP | LEU | ARG | ARG | ARG | GLY | ||||
| 16 | GLY | TRP | THR | ASP | VAL | LEU | LYS | CYS |
Samples:
sample_1: hBOK, [U-99% 13C; U-99% 15N], 0.5 mM; NaCl 150 mM
sample_conditions_1: ionic strength: 150 mM; pH: 6.8; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D-15N-NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D-13C-NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D-NOESY-aro | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
CARA v1.9, Keller and Wuthrich - chemical shift assignment, peak picking
TOPSPIN v3.5, Bruker Biospin - collection
NMR spectrometers:
- Bruker AvanceII 600 MHz
- Bruker AvanceIII 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts