BMRB Entry 18256
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18256
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Title: R state structure of monomeric phospholamban (C36A, C41F, C46A) PubMed: 23968132
Deposition date: 2012-02-11 Original release date: 2013-02-11
Authors: De Simone, Alfonso; Montalvao, Rinaldo; Gustavsson, Martin; Shi, Lei; Veglia, Gianluigi; Vendruscolo, Michele
Citation: De Simone, Alfonso; Gustavsson, Martin; Montalvao, Rinaldo; Shi, Lei; Veglia, Gianluigi; Vendruscolo, Michele. "Structures of the excited states of phospholamban and shifts in their populations upon phosphorylation." Biochemistry 52, 6684-6694 (2013).
Assembly members:
Phospholamban, polymer, 53 residues, 6150.531 Da.
Natural source: Common Name: Rabbit Taxonomy ID: 9986 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Oryctolagus cuniculus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Phospholamban: AMEKVQYLTRSAIRRASTIE
MPQQARQNLQNLFINFALIL
IFLLLIAIIVMLL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 152 |
| 15N chemical shifts | 50 |
| 1H chemical shifts | 101 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | monomeric phospholamban (C36A, C41F, C46A) | 1 |
Entities:
Entity 1, monomeric phospholamban (C36A, C41F, C46A) 53 residues - 6150.531 Da.
| 1 | ALA | MET | GLU | LYS | VAL | GLN | TYR | LEU | THR | ARG | ||||
| 2 | SER | ALA | ILE | ARG | ARG | ALA | SER | THR | ILE | GLU | ||||
| 3 | MET | PRO | GLN | GLN | ALA | ARG | GLN | ASN | LEU | GLN | ||||
| 4 | ASN | LEU | PHE | ILE | ASN | PHE | ALA | LEU | ILE | LEU | ||||
| 5 | ILE | PHE | LEU | LEU | LEU | ILE | ALA | ILE | ILE | VAL | ||||
| 6 | MET | LEU | LEU |
Samples:
sample_1: Phospholamban, [U-99% 13C; U-99% 15N], 1-1.5 mM; sodium chloride 120 mM; D2O 5%; sodium phosphate 20 mM; dodecylphosphocholine 100 mM
Sample_2: Phospholamban, [U-99% 13C; U-99% 15N], 1-1.5 mM; sodium chloride 120 mM; D2O 5%; sodium phosphate 20 mM; dodecylphosphocholine 100 mM; acrylamide 5.1%; bis-acrylamide 1.3%
sample_3: Phospholamban, [U-99% 13C; U-99% 15N], 1-1.5 mM; sodium chloride 120 mM; D2O 5%; sodium phosphate 20 mM; dodecylphosphocholine 100 mM; acrylamide 3.85%; bis-acrylamide 1.3%; 2-(acrylamido)-2-methyl-1-propanesulfonic acid 1.25%
sample_conditions_1: ionic strength: 0.120 M; pH: 6.0; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | Sample_2 | anisotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | Sample_2 | anisotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_3 | anisotropic | sample_conditions_1 |
| 2D HN(a/b-NCO-J)-TROSY | sample_1 | isotropic | sample_conditions_1 |
| 2D HN(a/b-NC0-J)-TROSY | Sample_2 | anisotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - data analysis
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Varian VNMRS 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts