BMRB Entry 52946
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52946
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Srivastava, Shagun; Sekar, Giridhar; Ojoawo, Adedolapo; Aggarwal, Anup; Ferreira, Elisabeth; Uchikawa, Emiko; Yang, Meek; Grace, Christy; Dey, Raja; Lin, Yi-Lun; Guibao, Cristina; Jayaraman, Seetharaman; Mukherjee, Somnath; Kossiakoff, Anthony; Dong, Bin; Myasnikov, Alex; Moldoveanu, Tudor. "Structural basis of BAK sequestration by MCL-1 in apoptosis" Mol. Cell 85, 1606-1623 (2025).
PubMed: 40187349
Assembly members:
entity_1, polymer, 153 residues, Formula weight is not available
entity_2, polymer, 167 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: pET
Entity Sequences (FASTA):
entity_1: GGSGDLYRQSLEIISRYLRE
QATGAKDTKPMGRSGATSRK
ALETLRRVGDGVQRNHETAF
QGMLRKLDIKNEDDVKSLSR
VMIHVFSDGVTNWGRIVTLI
SFGAFVAKHLKTINQESAIE
PLAESITDVLVRTKRDWLVK
QRGWDGFVEFFHV
entity_2: SMASEEQVAQDTEEVFRSYV
FYRHQQEQEAEGVAAPADPE
MVTLPLQPSSTMGQVGRQLA
IIGDDINRRYDSEFQTMLQH
LQPTAENAYEYFTKIATSLF
ESGINWRRVVALLGFGYRLA
LHVYQHGLTGFLGQVTRFVV
DFMLHHSIARWIAQRGGWVA
ALNLCNG
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 134 |
| 1H chemical shifts | 134 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MCL1 | 1 |
| 2 | Bak(BH3) | 2 |
Entities:
Entity 1, MCL1 153 residues - Formula weight is not available
| 1 | GLY | GLY | SER | GLY | ASP | LEU | TYR | ARG | GLN | SER | ||||
| 2 | LEU | GLU | ILE | ILE | SER | ARG | TYR | LEU | ARG | GLU | ||||
| 3 | GLN | ALA | THR | GLY | ALA | LYS | ASP | THR | LYS | PRO | ||||
| 4 | MET | GLY | ARG | SER | GLY | ALA | THR | SER | ARG | LYS | ||||
| 5 | ALA | LEU | GLU | THR | LEU | ARG | ARG | VAL | GLY | ASP | ||||
| 6 | GLY | VAL | GLN | ARG | ASN | HIS | GLU | THR | ALA | PHE | ||||
| 7 | GLN | GLY | MET | LEU | ARG | LYS | LEU | ASP | ILE | LYS | ||||
| 8 | ASN | GLU | ASP | ASP | VAL | LYS | SER | LEU | SER | ARG | ||||
| 9 | VAL | MET | ILE | HIS | VAL | PHE | SER | ASP | GLY | VAL | ||||
| 10 | THR | ASN | TRP | GLY | ARG | ILE | VAL | THR | LEU | ILE | ||||
| 11 | SER | PHE | GLY | ALA | PHE | VAL | ALA | LYS | HIS | LEU | ||||
| 12 | LYS | THR | ILE | ASN | GLN | GLU | SER | ALA | ILE | GLU | ||||
| 13 | PRO | LEU | ALA | GLU | SER | ILE | THR | ASP | VAL | LEU | ||||
| 14 | VAL | ARG | THR | LYS | ARG | ASP | TRP | LEU | VAL | LYS | ||||
| 15 | GLN | ARG | GLY | TRP | ASP | GLY | PHE | VAL | GLU | PHE | ||||
| 16 | PHE | HIS | VAL |
Entity 2, Bak(BH3) 167 residues - Formula weight is not available
| 1 | SER | MET | ALA | SER | GLU | GLU | GLN | VAL | ALA | GLN | ||||
| 2 | ASP | THR | GLU | GLU | VAL | PHE | ARG | SER | TYR | VAL | ||||
| 3 | PHE | TYR | ARG | HIS | GLN | GLN | GLU | GLN | GLU | ALA | ||||
| 4 | GLU | GLY | VAL | ALA | ALA | PRO | ALA | ASP | PRO | GLU | ||||
| 5 | MET | VAL | THR | LEU | PRO | LEU | GLN | PRO | SER | SER | ||||
| 6 | THR | MET | GLY | GLN | VAL | GLY | ARG | GLN | LEU | ALA | ||||
| 7 | ILE | ILE | GLY | ASP | ASP | ILE | ASN | ARG | ARG | TYR | ||||
| 8 | ASP | SER | GLU | PHE | GLN | THR | MET | LEU | GLN | HIS | ||||
| 9 | LEU | GLN | PRO | THR | ALA | GLU | ASN | ALA | TYR | GLU | ||||
| 10 | TYR | PHE | THR | LYS | ILE | ALA | THR | SER | LEU | PHE | ||||
| 11 | GLU | SER | GLY | ILE | ASN | TRP | ARG | ARG | VAL | VAL | ||||
| 12 | ALA | LEU | LEU | GLY | PHE | GLY | TYR | ARG | LEU | ALA | ||||
| 13 | LEU | HIS | VAL | TYR | GLN | HIS | GLY | LEU | THR | GLY | ||||
| 14 | PHE | LEU | GLY | GLN | VAL | THR | ARG | PHE | VAL | VAL | ||||
| 15 | ASP | PHE | MET | LEU | HIS | HIS | SER | ILE | ALA | ARG | ||||
| 16 | TRP | ILE | ALA | GLN | ARG | GLY | GLY | TRP | VAL | ALA | ||||
| 17 | ALA | LEU | ASN | LEU | CYS | ASN | GLY |
Samples:
sample_1: MCL1, [U-100% 13C; U-100% 15N; U-80% 2H], 200 uM; Bak(BH3), [U-2H], 400 uM; H2O 90%; D2O 10%; sodium phosphate 25 mM; sodium chloride 100 mM; DTT 1 mM; DDM 0.2 mM
sample_conditions_1: ionic strength: 0.15 M; pH: 6.8; pressure: 1 atm; temperature: 318 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 |
Software:
ANALYSIS - chemical shift assignment
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