BMRB Entry 30150
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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/BMR30150
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Title: Solution structure of a Bcl-xL S62E mutant
Deposition date: 2016-07-29 Original release date: 2017-08-04
Authors: Follis, A.; Kriwacki, R.
Citation: Follis, A.; Llambi, F.; Green, D.; Kriwacki, R.. "Allosteric regulation of globular protein function through posttranslational modification of an internal disordered region" . ., .-..
Assembly members:
entity_1, polymer, 212 residues, 23711.982 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
Entity Sequences (FASTA):
entity_1: GHSMSQSNRELVVDFLSYKL
SQKGYSWSQFSDVEENRTEA
PEGTESEMETPSAINGNPSW
HLADEPAVNGATGHSSSLDA
REVIPMAAVKQALREAGDEF
ELRYRRAFSDLTSQLHITPG
TAYQSFEQVVNELFRDGVNW
GRIVAFFSFGGALCVESVDK
EMQVLVSRIAAWMATYLNDH
LEPWIQENGGWDTFVELYGN
NAAAESRKGQER
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 647 |
| 15N chemical shifts | 209 |
| 1H chemical shifts | 1281 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 212 residues - 23711.982 Da.
| 1 | GLY | HIS | SER | MET | SER | GLN | SER | ASN | ARG | GLU | ||||
| 2 | LEU | VAL | VAL | ASP | PHE | LEU | SER | TYR | LYS | LEU | ||||
| 3 | SER | GLN | LYS | GLY | TYR | SER | TRP | SER | GLN | PHE | ||||
| 4 | SER | ASP | VAL | GLU | GLU | ASN | ARG | THR | GLU | ALA | ||||
| 5 | PRO | GLU | GLY | THR | GLU | SER | GLU | MET | GLU | THR | ||||
| 6 | PRO | SER | ALA | ILE | ASN | GLY | ASN | PRO | SER | TRP | ||||
| 7 | HIS | LEU | ALA | ASP | GLU | PRO | ALA | VAL | ASN | GLY | ||||
| 8 | ALA | THR | GLY | HIS | SER | SER | SER | LEU | ASP | ALA | ||||
| 9 | ARG | GLU | VAL | ILE | PRO | MET | ALA | ALA | VAL | LYS | ||||
| 10 | GLN | ALA | LEU | ARG | GLU | ALA | GLY | ASP | GLU | PHE | ||||
| 11 | GLU | LEU | ARG | TYR | ARG | ARG | ALA | PHE | SER | ASP | ||||
| 12 | LEU | THR | SER | GLN | LEU | HIS | ILE | THR | PRO | GLY | ||||
| 13 | THR | ALA | TYR | GLN | SER | PHE | GLU | GLN | VAL | VAL | ||||
| 14 | ASN | GLU | LEU | PHE | ARG | ASP | GLY | VAL | ASN | TRP | ||||
| 15 | GLY | ARG | ILE | VAL | ALA | PHE | PHE | SER | PHE | GLY | ||||
| 16 | GLY | ALA | LEU | CYS | VAL | GLU | SER | VAL | ASP | LYS | ||||
| 17 | GLU | MET | GLN | VAL | LEU | VAL | SER | ARG | ILE | ALA | ||||
| 18 | ALA | TRP | MET | ALA | THR | TYR | LEU | ASN | ASP | HIS | ||||
| 19 | LEU | GLU | PRO | TRP | ILE | GLN | GLU | ASN | GLY | GLY | ||||
| 20 | TRP | ASP | THR | PHE | VAL | GLU | LEU | TYR | GLY | ASN | ||||
| 21 | ASN | ALA | ALA | ALA | GLU | SER | ARG | LYS | GLY | GLN | ||||
| 22 | GLU | ARG |
Samples:
sample_1: Bcl-xL S62E, [U-99% 13C; U-99% 15N], 2.2 ± 0.1 mM
sample_2: Bcl-xL S62E, [U-99% 13C; U-99% 15N], 1.9 ± 0.1 mM
sample_conditions_1: ionic strength: 50 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_2 | isotropic | sample_conditions_1 |
Software:
CARA, Keller and Wuthrich - chemical shift assignment, peak picking
CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation
TALOS, Cornilescu, Delaglio and Bax - structure calculation
TOPSPIN v2.1 and 3.1, Bruker Biospin - collection
TOPSPIN v3.1, Bruker Biospin - processing
NMR spectrometers:
- Bruker AvanceII 800 MHz
- Bruker AvanceIII 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts