BMRB Entry 34610
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34610
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
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Title: Solution structure of toll like receptor 1 (TLR1) TIR domain PubMed: 34429510
Deposition date: 2021-03-09 Original release date: 2021-08-17
Authors: Mineev, K.; Lushpa, V.; Goncharuk, M.
Citation: Lushpa, Vladislav; Goncharuk, Marina; Lin, Cong; Zalevsky, Arthur; Talyzina, Irina; Luginina, Aleksandra; Vakhrameev, Daniil; Shevtsov, Mikhail; Goncharuk, Sergey; Arseniev, Alexander; Borshchevskiy, Valentin; Wang, Xiaohui; Mineev, Konstantin. "Modulation of Toll-like receptor 1 intracellular domain structure and activity by Zn 2+ ions" Commun. Biol. 4, 1003-1003 (2021).
Assembly members:
entity_1, polymer, 163 residues, 19204.139 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: SNIPLEELQRNLQFHAFISY
SGHDSFWVKNELLPNLEKEG
MQICLHERNFVPGKSIVENI
ITCIEKSYKSIFVLSPNFVQ
SEWCHYELYFAHHNLFHEGS
NSLILILLEPIPQYSIPSSY
HKLKSLMARRTYLEWPKEKS
KRGLFWANLRAAINIKLTEQ
AKK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 729 |
| 15N chemical shifts | 160 |
| 1H chemical shifts | 1192 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 163 residues - 19204.139 Da.
| 1 | SER | ASN | ILE | PRO | LEU | GLU | GLU | LEU | GLN | ARG | ||||
| 2 | ASN | LEU | GLN | PHE | HIS | ALA | PHE | ILE | SER | TYR | ||||
| 3 | SER | GLY | HIS | ASP | SER | PHE | TRP | VAL | LYS | ASN | ||||
| 4 | GLU | LEU | LEU | PRO | ASN | LEU | GLU | LYS | GLU | GLY | ||||
| 5 | MET | GLN | ILE | CYS | LEU | HIS | GLU | ARG | ASN | PHE | ||||
| 6 | VAL | PRO | GLY | LYS | SER | ILE | VAL | GLU | ASN | ILE | ||||
| 7 | ILE | THR | CYS | ILE | GLU | LYS | SER | TYR | LYS | SER | ||||
| 8 | ILE | PHE | VAL | LEU | SER | PRO | ASN | PHE | VAL | GLN | ||||
| 9 | SER | GLU | TRP | CYS | HIS | TYR | GLU | LEU | TYR | PHE | ||||
| 10 | ALA | HIS | HIS | ASN | LEU | PHE | HIS | GLU | GLY | SER | ||||
| 11 | ASN | SER | LEU | ILE | LEU | ILE | LEU | LEU | GLU | PRO | ||||
| 12 | ILE | PRO | GLN | TYR | SER | ILE | PRO | SER | SER | TYR | ||||
| 13 | HIS | LYS | LEU | LYS | SER | LEU | MET | ALA | ARG | ARG | ||||
| 14 | THR | TYR | LEU | GLU | TRP | PRO | LYS | GLU | LYS | SER | ||||
| 15 | LYS | ARG | GLY | LEU | PHE | TRP | ALA | ASN | LEU | ARG | ||||
| 16 | ALA | ALA | ILE | ASN | ILE | LYS | LEU | THR | GLU | GLN | ||||
| 17 | ALA | LYS | LYS |
Samples:
sample_1: TLR1-TIR, [U-100% 13C; U-100% 15N], 0.8 mM; PIPES 20 mM; sodium chloride 25 mM; TCEP 3 mM
sample_conditions_1: ionic strength: 50 mM; pH: 6.3; pressure: 1 atm; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | 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 |
Software:
CYANA v3.98.13, Guntert, Mumenthaler and Wuthrich - structure calculation
CARA v1.9.1, Keller and Wuthrich - chemical shift assignment, peak picking
qMDD v2.7, Orekhov, Mayzel - processing
TopSpin, Bruker Biospin - processing
NMR spectrometers:
- Bruker AVANCE III 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts