BMRB Entry 16515
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16515
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Title: Solution structure of mouse Par-3 PDZ2 (residues 450-558)
Deposition date: 2009-09-23 Original release date: 2010-05-13
Authors: Volkman, B.; Tyler, R.; Peterson, F.
Citation: Markley, J.; Bahrami, A.; Eghbalnia, H.; Peterson, F.; Ulrich, E.; Westler, W.; Volkman, B.. "Macromolecular Structure Determination by NMR Sepectroscopy" (2009).
Assembly members:
mPar3_PDZ2, polymer, 111 residues, 11927.798 Da.
Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
mPar3_PDZ2: GSVYNTKKVGKRLNIQLKKG
TEGLGFSITSRDVTIGGSAP
IYVKNILPRGAAIQDGRLKA
GDRLIEVNGVDLAGKSQEEV
VSLLRSTKMEGTVSLLVFRQ
EEAFHPREMNA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 407 |
| 15N chemical shifts | 108 |
| 1H chemical shifts | 621 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | mPar3 PDZ2 | 1 |
Entities:
Entity 1, mPar3 PDZ2 111 residues - 11927.798 Da.
| 1 | GLY | SER | VAL | TYR | ASN | THR | LYS | LYS | VAL | GLY | ||||
| 2 | LYS | ARG | LEU | ASN | ILE | GLN | LEU | LYS | LYS | GLY | ||||
| 3 | THR | GLU | GLY | LEU | GLY | PHE | SER | ILE | THR | SER | ||||
| 4 | ARG | ASP | VAL | THR | ILE | GLY | GLY | SER | ALA | PRO | ||||
| 5 | ILE | TYR | VAL | LYS | ASN | ILE | LEU | PRO | ARG | GLY | ||||
| 6 | ALA | ALA | ILE | GLN | ASP | GLY | ARG | LEU | LYS | ALA | ||||
| 7 | GLY | ASP | ARG | LEU | ILE | GLU | VAL | ASN | GLY | VAL | ||||
| 8 | ASP | LEU | ALA | GLY | LYS | SER | GLN | GLU | GLU | VAL | ||||
| 9 | VAL | SER | LEU | LEU | ARG | SER | THR | LYS | MET | GLU | ||||
| 10 | GLY | THR | VAL | SER | LEU | LEU | VAL | PHE | ARG | GLN | ||||
| 11 | GLU | GLU | ALA | PHE | HIS | PRO | ARG | GLU | MET | ASN | ||||
| 12 | ALA |
Samples:
sample: mPar3 PDZ2, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.02%; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 54 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D_15N-separated_NOESY | sample | isotropic | sample_conditions_1 |
| 3D_13C-separated_NOESY | sample | isotropic | sample_conditions_1 |
| 3D_13C-separated_NOESY (AROMATIC) | sample | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker - collection
NMRPipe v2007, Delagio,F. et al. - processing
XEASY v1.3, Eccles, C., Guntert, P., Billeter, M., Wuthrich, K. - data analysis
SPSCAN v1.1.0, R.W. Glaser - data analysis
GARANT v2.1, C. Bartels - data analysis
CYANA v2.1, Guntert, P. - structural calculation
X-PLOR NIH v2.9.3, SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. - refinement
NMR spectrometers:
- Bruker Avance II 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts