BMRB Entry 18608
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18608
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Title: Backbone resonance assignment of ASC pyrin domain PubMed: 23066025
Deposition date: 2012-07-23 Original release date: 2012-10-18
Authors: Vajjhala, Parimala; Mirams, Ruth; Hill, Justine
Citation: Vajjhala, Parimala; Mirams, Ruth; Hill, Justine. "Multiple binding sites on the pyrin domain of ASC protein allow self-association and interaction with NLRP3 protein." J. Biol. Chem. 287, 41732-41743 (2012).
Assembly members:
ASC_PYD, polymer, 108 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
Entity Sequences (FASTA):
ASC_PYD: MRGSHHHHHHGSMGRARDAI
LDALENLTAEELKKFKLKLL
SVPLREGYGRIPRGALLSMD
SLDLTDKLVSFYLETYGAEL
TANVLRDMGLQEMAGQLQAA
THQGSGAA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 266 |
| 15N chemical shifts | 89 |
| 1H chemical shifts | 88 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ASC PYD | 1 |
Entities:
Entity 1, ASC PYD 108 residues - Formula weight is not available
| 1 | MET | ARG | GLY | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | GLY | SER | MET | GLY | ARG | ALA | ARG | ASP | ALA | ILE | ||||
| 3 | LEU | ASP | ALA | LEU | GLU | ASN | LEU | THR | ALA | GLU | ||||
| 4 | GLU | LEU | LYS | LYS | PHE | LYS | LEU | LYS | LEU | LEU | ||||
| 5 | SER | VAL | PRO | LEU | ARG | GLU | GLY | TYR | GLY | ARG | ||||
| 6 | ILE | PRO | ARG | GLY | ALA | LEU | LEU | SER | MET | ASP | ||||
| 7 | SER | LEU | ASP | LEU | THR | ASP | LYS | LEU | VAL | SER | ||||
| 8 | PHE | TYR | LEU | GLU | THR | TYR | GLY | ALA | GLU | LEU | ||||
| 9 | THR | ALA | ASN | VAL | LEU | ARG | ASP | MET | GLY | LEU | ||||
| 10 | GLN | GLU | MET | ALA | GLY | GLN | LEU | GLN | ALA | ALA | ||||
| 11 | THR | HIS | GLN | GLY | SER | GLY | ALA | ALA |
Samples:
sample_1: ASC PYD, [U-99% 15N], 0.3 mM; sodium phosphate 50 mM; sodium chloride 150 mM; D2O, [U-99% 2H], 10%; H2O 90%
sample_2: ASC PYD, [U-99% 13C; U-99% 15N], 0.9 mM; sodium phosphate 50 mM; sodium chloride 150 mM; D2O, [U-99% 2H], 10%; H2O 90%
sample_conditions_1: ionic strength: 150 mM; pH: 4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
Analysis, CCPN - processing
HADDOCK, Alexandre Bonvin - structure solution
NMR spectrometers:
- Bruker Avance 750 MHz
Related Database Links:
| PDB | |
| DBJ | BAA87339 BAG37041 BAG73625 |
| GB | AAF99665 AAG01187 AAG01188 AAG30286 AAH13569 |
| REF | NP_037390 NP_660183 XP_001158625 XP_001158687 XP_003280507 |
| SP | Q9ULZ3 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts