BMRB Entry 19764
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19764
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Title: Spatial structure of the dimeric transmembrane domain of Toll-like receptor 3
Deposition date: 2014-02-04 Original release date: 2014-09-15
Authors: Mineev, Konstantin; Goncharuk, Sergey; Arseniev, Alexander
Citation: Mineev, Konstantin; Goncharuk, Sergey; Arseniev, Alexander. "Toll-like Receptor 3 Transmembrane Domain is Able to Perform Various Homotypic Interactions: an NMR Structural Study." To be Published ., .-..
Assembly members:
entity, polymer, 34 residues, 4089.984 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: E. coli - cell free
Entity Sequences (FASTA):
entity: MDSAPFELFFMINTSILLIF
IFIVLLIHFEGWRI
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 168 |
| 15N chemical shifts | 34 |
| 1H chemical shifts | 284 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 1 |
Entities:
Entity 1, entity_1 34 residues - 4089.984 Da.
fragment corresponds to the transmembrane domain of the human TLR3 receptor residues D698-I730
| 1 | MET | ASP | SER | ALA | PRO | PHE | GLU | LEU | PHE | PHE | ||||
| 2 | MET | ILE | ASN | THR | SER | ILE | LEU | LEU | ILE | PHE | ||||
| 3 | ILE | PHE | ILE | VAL | LEU | LEU | ILE | HIS | PHE | GLU | ||||
| 4 | GLY | TRP | ARG | ILE |
Samples:
sample_1: entity 0.8 mM; entity, [U-98% 13C; U-98% 15N], 1.2 mM; potassium phosphate 20 mM; sodium azide 1 mM; DPC, [U-99% 2H], 200 mM; H2O 95; D2O 5%
sample_conditions_1: ionic strength: 20 mM; pH: 7.5; pressure: 1 atm; temperature: 318 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
| 13C/15N-filtered NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.0, Bruker Biospin - collection
CARA v1.8.5, Keller and Wuthrich - chemical shift assignment, data analysis
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution
TALOS v+, Cornilescu, Delaglio and Bax - data analysis
qMDD v2.1, Orekhov, Mayzel - processing
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
Related Database Links:
| UNP | O15455 |
| PDB | |
| DBJ | BAG36884 BAG55028 BAG55029 BAG55030 BAG55031 |
| GB | AAC34134 AAH59372 AAH94737 AAH96333 AAH96334 |
| REF | NP_001123942 NP_001266163 NP_001266681 NP_001277098 NP_003256 |
| SP | O15455 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts