BMRB Entry 18516
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18516
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Title: 1H, 13C and 15N backbone NMR reassignment of the third PDZ domain of PSD95 protein PubMed: 24587199
Deposition date: 2012-06-12 Original release date: 2014-04-22
Authors: Candel, Adela M.; Murciano-Calles, Javier; Martinez, Jose C.
Citation: Murciano-Calles, Javier; Corbi-Verge, Carles; Candel, Adela; Luque, Irene; Martinez, Jose. "Post-translational modifications modulate ligand recognition by the third PDZ domain of the MAGUK protein PSD-95." PLoS ONE 9, e90030-e90030 (2014).
Assembly members:
PDZ3, polymer, 103 residues, Formula weight is not available
Natural source: Common Name: Humans Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
PDZ3: GLGEEDIPREPRRIVIHRGS
TGLGFNIVGGEDGEGIFISF
ILAGGPADLSGELRKGDQIL
SVNGVDLRNASHEQAAIALK
NAGQTVTIIAQYKPEEYSRF
EAK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 284 |
| 15N chemical shifts | 101 |
| 1H chemical shifts | 109 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PDZ3 | 1 |
Entities:
Entity 1, PDZ3 103 residues - Formula weight is not available
| 1 | GLY | LEU | GLY | GLU | GLU | ASP | ILE | PRO | ARG | GLU | ||||
| 2 | PRO | ARG | ARG | ILE | VAL | ILE | HIS | ARG | GLY | SER | ||||
| 3 | THR | GLY | LEU | GLY | PHE | ASN | ILE | VAL | GLY | GLY | ||||
| 4 | GLU | ASP | GLY | GLU | GLY | ILE | PHE | ILE | SER | PHE | ||||
| 5 | ILE | LEU | ALA | GLY | GLY | PRO | ALA | ASP | LEU | SER | ||||
| 6 | GLY | GLU | LEU | ARG | LYS | GLY | ASP | GLN | ILE | LEU | ||||
| 7 | SER | VAL | ASN | GLY | VAL | ASP | LEU | ARG | ASN | ALA | ||||
| 8 | SER | HIS | GLU | GLN | ALA | ALA | ILE | ALA | LEU | LYS | ||||
| 9 | ASN | ALA | GLY | GLN | THR | VAL | THR | ILE | ILE | ALA | ||||
| 10 | GLN | TYR | LYS | PRO | GLU | GLU | TYR | SER | ARG | PHE | ||||
| 11 | GLU | ALA | LYS |
Samples:
sample_1: PDZ3, [U-95% 13C; U-95% 15N], 1 mM; H2O, [U-95% 13C; U-95% 15N], 90%; D2O, [U-95% 13C; U-95% 15N], 10%
sample_conditions_1: ionic strength: 50 mM; pH: 7.5; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | 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 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - chemical shift assignment
NMR spectrometers:
- Varian INOVA 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts