BMRB Entry 17121
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17121
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Title: Folding Kinetics of the SH3 Domain of PI3 Kinase by Real-time NMR Combined with Optical Spectroscopy PubMed: 9551103
Deposition date: 2010-08-11 Original release date: 2010-11-10
Authors: Guijarro, J.; Morton, Craig; Plaxco, Kevin; Campbell, Iain; Dobson, Christopher
Citation: Guijarro, J.; Morton, Craig; Plaxco, Kevin; Campbell, Iain; Dobson, Christopher. "Folding Kinetics of the SH3 Domain of PI3 Kinase by Real-time NMR Combined with Optical Spectroscopy" J. Mol. Biol. 276, 657-667 (1998).
Assembly members:
PISH3, polymer, 90 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):
PISH3: GSMSAEGYQYRALYDYKKER
EEDIDLHLGDILTVNKGSLV
ALGFSDGQEARPEEIGWLNG
YNETTGERGDFPGTYVEYIG
RKKISPWNSS
- assigned_chemical_shifts
- chemical_rates
| Data type | Count |
| kinetic rates | 4 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PISH3 | 1 |
Entities:
Entity 1, PISH3 90 residues - Formula weight is not available
84 residues from PI3-SH3 domain + 2 residue N terminal addition (GS) and 4 residue C terminal addition (WNSS)
| 1 | GLY | SER | MET | SER | ALA | GLU | GLY | TYR | GLN | TYR | |
| 2 | ARG | ALA | LEU | TYR | ASP | TYR | LYS | LYS | GLU | ARG | |
| 3 | GLU | GLU | ASP | ILE | ASP | LEU | HIS | LEU | GLY | ASP | |
| 4 | ILE | LEU | THR | VAL | ASN | LYS | GLY | SER | LEU | VAL | |
| 5 | ALA | LEU | GLY | PHE | SER | ASP | GLY | GLN | GLU | ALA | |
| 6 | ARG | PRO | GLU | GLU | ILE | GLY | TRP | LEU | ASN | GLY | |
| 7 | TYR | ASN | GLU | THR | THR | GLY | GLU | ARG | GLY | ASP | |
| 8 | PHE | PRO | GLY | THR | TYR | VAL | GLU | TYR | ILE | GLY | |
| 9 | ARG | LYS | LYS | ILE | SER | PRO | TRP | ASN | SER | SER |
Samples:
sample_1: PISH3, [U-2H], 10 mg/ml; NaH2PO4 20 mM; guanidine hydrochloride, [U-2H], .727 M; D2O 100%
sample_conditions_1: pH: 7.2; pressure: ambient atm; temperature: 279 K
sample_conditions_2: pH: 7.2; pressure: ambient atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H NMR | sample_1 | isotropic | sample_conditions_1 |
| 1H NMR | sample_1 | isotropic | sample_conditions_2 |
Software:
FELIX v2.3, Accelrys Software Inc. - data analysis
KaleidaGraph, Synergy Software - data analysis
NMR spectrometers:
- Home Built na 600 MHz