BMRB Entry 34120
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34120
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Title: Solution structure of the C-terminal domain of S. aureus Hibernating Promoting Factor (CTD-SaHPF) PubMed: 28645916
Deposition date: 2017-03-31 Original release date: 2017-06-30
Authors: Usachev, K.; Khusainov, I.; Ayupov, R.; Validov, S.; Kieffer, B.; Yusupov, M.
Citation: Khusainov, Iskander; Vicens, Quentin; Ayupov, Rustam; Usachev, Konstantin; Myasnikov, Alexander; Simonetti, Angelita; Validov, Shamil; Kieffer, Bruno; Yusupova, Gulnara; Yusupov, Marat; Hashem, Yaser. "Structures and dynamics of hibernating ribosomes from Staphylococcus aureus mediated by intermolecular interactions of HPF" EMBO J. 36, 2073-2087 (2017).
Assembly members:
entity_1, polymer, 61 residues, 7124.070 Da.
Natural source: Common Name: Staphylococcus aureus Taxonomy ID: 93061 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)
Entity Sequences (FASTA):
entity_1: MIEIIRSKEFSLKPMDSEEA
VLQMNLLGHDFFVFTDRETD
GTSIVYRRKDGKYGLIQTSE
Q
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 516 |
| 15N chemical shifts | 120 |
| 1H chemical shifts | 760 |
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 61 residues - 7124.070 Da.
| 1 | MET | ILE | GLU | ILE | ILE | ARG | SER | LYS | GLU | PHE | ||||
| 2 | SER | LEU | LYS | PRO | MET | ASP | SER | GLU | GLU | ALA | ||||
| 3 | VAL | LEU | GLN | MET | ASN | LEU | LEU | GLY | HIS | ASP | ||||
| 4 | PHE | PHE | VAL | PHE | THR | ASP | ARG | GLU | THR | ASP | ||||
| 5 | GLY | THR | SER | ILE | VAL | TYR | ARG | ARG | LYS | ASP | ||||
| 6 | GLY | LYS | TYR | GLY | LEU | ILE | GLN | THR | SER | GLU | ||||
| 7 | GLN |
Samples:
sample_1: C-terminal domain of SaHPF, [U-99% 13C; U-99% 15N], 2.0 mM; NH4Cl 250 mM; potassium phosphate 50 mM
sample_conditions_1: ionic strength: 250 mM; pH: 7.6; pressure: 1 bar; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
ARIA, Linge, O'Donoghue and Nilges - chemical shift assignment, peak picking
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation
Procheck, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton - data analysis
TOPSPIN, Bruker Biospin - processing
NMR spectrometers:
- Bruker AvanceIII 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts