BMRB Entry 27496
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27496
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NMR-STAR v3 text file.
XML gzip file.
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Citation: Koss, Hans; Bunney, Tom; Esposito, Diego; Martins, Marta; Katan, Matilda; Driscoll, Paul. "Dynamic allostery in PLC 1 and its modulation by a cancer mutation revealed by MD simulation and NMR" Biophys. J. 115, 31-45 (2018).
PubMed: 29972810
Assembly members:
phospholipase_Cg1, polymer, 246 residues, Formula weight is not available
pY783_peptide, polymer, 13 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 Vector: pOPINS
Entity Sequences (FASTA):
phospholipase_Cg1: HSNEKWFHGKLGAGRDGRHI
AERLLTEYCIETGAPDGSFL
VRESETFVGDYTLSFWRNGK
VQHCRIHSRQDAGTPKFFLT
DNLVFDSLYDLITHYQQVPL
RCNEFEMRLSEPVPQTNAHE
SKEWYHASLTRAQAEHMLMR
VPRDGAFLVRKRNEPNSYAI
SFRAEGKIKHCRVQQEGQTV
MLGNSEFDSLVDLISYYEKH
PLYRKMKLRYPINEEALEKI
GTAEPDFGALFEGRNPGFYV
EANPMP
pY783_peptide: NPGFpYVEANPMP
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 856 |
| 15N chemical shifts | 813 |
| 1H chemical shifts | 813 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PLCg1 tandem SH2 | 1 |
| 2 | NSH2CSH2DCTPY783 | 2 |
Entities:
Entity 1, PLCg1 tandem SH2 246 residues - Formula weight is not available
| 1 | HIS | SER | ASN | GLU | LYS | TRP | PHE | HIS | GLY | LYS | ||||
| 2 | LEU | GLY | ALA | GLY | ARG | ASP | GLY | ARG | HIS | ILE | ||||
| 3 | ALA | GLU | ARG | LEU | LEU | THR | GLU | TYR | CYS | ILE | ||||
| 4 | GLU | THR | GLY | ALA | PRO | ASP | GLY | SER | PHE | LEU | ||||
| 5 | VAL | ARG | GLU | SER | GLU | THR | PHE | VAL | GLY | ASP | ||||
| 6 | TYR | THR | LEU | SER | PHE | TRP | ARG | ASN | GLY | LYS | ||||
| 7 | VAL | GLN | HIS | CYS | ARG | ILE | HIS | SER | ARG | GLN | ||||
| 8 | ASP | ALA | GLY | THR | PRO | LYS | PHE | PHE | LEU | THR | ||||
| 9 | ASP | ASN | LEU | VAL | PHE | ASP | SER | LEU | TYR | ASP | ||||
| 10 | LEU | ILE | THR | HIS | TYR | GLN | GLN | VAL | PRO | LEU | ||||
| 11 | ARG | CYS | ASN | GLU | PHE | GLU | MET | ARG | LEU | SER | ||||
| 12 | GLU | PRO | VAL | PRO | GLN | THR | ASN | ALA | HIS | GLU | ||||
| 13 | SER | LYS | GLU | TRP | TYR | HIS | ALA | SER | LEU | THR | ||||
| 14 | ARG | ALA | GLN | ALA | GLU | HIS | MET | LEU | MET | ARG | ||||
| 15 | VAL | PRO | ARG | ASP | GLY | ALA | PHE | LEU | VAL | ARG | ||||
| 16 | LYS | ARG | ASN | GLU | PRO | ASN | SER | TYR | ALA | ILE | ||||
| 17 | SER | PHE | ARG | ALA | GLU | GLY | LYS | ILE | LYS | HIS | ||||
| 18 | CYS | ARG | VAL | GLN | GLN | GLU | GLY | GLN | THR | VAL | ||||
| 19 | MET | LEU | GLY | ASN | SER | GLU | PHE | ASP | SER | LEU | ||||
| 20 | VAL | ASP | LEU | ILE | SER | TYR | TYR | GLU | LYS | HIS | ||||
| 21 | PRO | LEU | TYR | ARG | LYS | MET | LYS | LEU | ARG | TYR | ||||
| 22 | PRO | ILE | ASN | GLU | GLU | ALA | LEU | GLU | LYS | ILE | ||||
| 23 | GLY | THR | ALA | GLU | PRO | ASP | PHE | GLY | ALA | LEU | ||||
| 24 | PHE | GLU | GLY | ARG | ASN | PRO | GLY | PHE | TYR | VAL | ||||
| 25 | GLU | ALA | ASN | PRO | MET | PRO |
Entity 2, NSH2CSH2DCTPY783 13 residues - Formula weight is not available
| 1 | ASN | PRO | GLY | PHE | PRO | TYR | VAL | GLU | ALA | ASN | ||||
| 2 | PRO | MET | PRO |
Samples:
sample_1: phospholipase Cg1, [U-13C; U-15N], 200 mM; phospholipase Cg1, [U-13C; U-15N; U-2H], 175 uM; phospholipase Cg1, [U-13C; U-15N], 175 uM; Na2HPO4/NaH2PO4 25 mM; NaCl 50 mM; DTT 5 mM; EDTA 1 mM
sample_conditions_1: ionic strength: 0.075 M; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CCPN_Analysis, CCPN - data analysis
NMR spectrometers:
- Bruker Avance 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks