BMRB Entry 52019
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52019
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Wayment-Steele, Hannah; Ojoawo, Adedolapo; Otten, Renee; Apitz, Julia; Pitsawong, Warintra; Homberger, M.; Ovchinnikov, Sergey; Colwell, Lucy; Kern, D.. "Predicting multiple conformations via sequence clustering and AlphaFold2" Nature 625, 832-839 (2024).
PubMed: 37956700
Assembly members:
entity_1, polymer, 86 residues, 10033 Da.
Natural source: Common Name: Thermosynechococcus vestitus Taxonomy ID: 146786 Superkingdom: Bacteria Kingdom: not available Genus/species: Thermosynechococcus vestitus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pETM-41
Entity Sequences (FASTA):
entity_1: MYVFRLYVRGETHAAEVALK
NLHDLLSSALKVPYTLKVVD
VTKQPDLAEKDQVQATPTLV
RVYPQPVRRLVGQLDHRYRL
QHLLSP
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 127 |
| 15N chemical shifts | 75 |
| 1H chemical shifts | 75 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | KaiB-TV | 1 |
Entities:
Entity 1, KaiB-TV 86 residues - 10033 Da.
| 1 | MET | TYR | VAL | PHE | ARG | LEU | TYR | VAL | ARG | GLY | ||||
| 2 | GLU | THR | HIS | ALA | ALA | GLU | VAL | ALA | LEU | LYS | ||||
| 3 | ASN | LEU | HIS | ASP | LEU | LEU | SER | SER | ALA | LEU | ||||
| 4 | LYS | VAL | PRO | TYR | THR | LEU | LYS | VAL | VAL | ASP | ||||
| 5 | VAL | THR | LYS | GLN | PRO | ASP | LEU | ALA | GLU | LYS | ||||
| 6 | ASP | GLN | VAL | GLN | ALA | THR | PRO | THR | LEU | VAL | ||||
| 7 | ARG | VAL | TYR | PRO | GLN | PRO | VAL | ARG | ARG | LEU | ||||
| 8 | VAL | GLY | GLN | LEU | ASP | HIS | ARG | TYR | ARG | LEU | ||||
| 9 | GLN | HIS | LEU | LEU | SER | PRO |
Samples:
sample_1: KaiB-TV-4, [U-99% 13C; U-99% 15N], 1.1 mM; MOPS 100 mM; TCEP 2 mM; sodium chloride 50 mM
sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | 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 HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe - processing
TOPSPIN - collection
SMILE - processing
PINE - chemical shift assignment
POKY - data analysis
NMR spectrometers:
- Bruker AVANCE III 750 MHz
- Varian AVANCE III 800 MHz
Related Database Links:
| NCBI | WP_011056401.1 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks