BMRB Entry 15296
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15296
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Title: Chemical assignments of Ca-S100A1 bound to RyRP12 PubMed: 18089560
Deposition date: 2007-06-08 Original release date: 2008-06-25
Authors: Wright, Nathan; Varney, Kristen; Weber, David
Citation: Prosser, Benjamin; Wright, Nathan; Hernandez-Ochoa, Erick; Varney, Kristen; Liu, Yewei; Zimmer, Danna; Olojo, R; Weber, David; Schneider, Martin. "S100A1 binds to the calmodulin-binding site of ryanodine receptor and modulates skeletal muscle excitation-contraction coupling" J. Biol. Chem. 283, 5046-5057 (2008).
Assembly members:
S100A1-RyR, polymer, 94 residues, Formula weight is not available
RyRP12, polymer, 12 residues, Formula weight is not available
CA, non-polymer, Formula weight is not available
Natural source: Common Name: Rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET16
Entity Sequences (FASTA):
S100A1-RyR: MGSELETAMETLINVFHAHS
GKEGDKYKLSKKELKDLLQT
ELSSFLDVQKDADAVDKIMK
ELDENGDGEVDFQEFVVLVA
ALTVACNNFFWENS
RyRP12: KKAVWHKLLSKQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 371 |
| 15N chemical shifts | 89 |
| 1H chemical shifts | 585 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | S100A1 | 1 |
| 2 | RyRP12 | 2 |
| 3 | CALCIUM ION, 1 | 3 |
| 4 | CALCIUM ION, 2 | 3 |
| 5 | CALCIUM ION, 3 | 3 |
| 6 | CALCIUM ION, 4 | 3 |
Entities:
Entity 1, S100A1 94 residues - Formula weight is not available
| 1 | MET | GLY | SER | GLU | LEU | GLU | THR | ALA | MET | GLU | ||||
| 2 | THR | LEU | ILE | ASN | VAL | PHE | HIS | ALA | HIS | SER | ||||
| 3 | GLY | LYS | GLU | GLY | ASP | LYS | TYR | LYS | LEU | SER | ||||
| 4 | LYS | LYS | GLU | LEU | LYS | ASP | LEU | LEU | GLN | THR | ||||
| 5 | GLU | LEU | SER | SER | PHE | LEU | ASP | VAL | GLN | LYS | ||||
| 6 | ASP | ALA | ASP | ALA | VAL | ASP | LYS | ILE | MET | LYS | ||||
| 7 | GLU | LEU | ASP | GLU | ASN | GLY | ASP | GLY | GLU | VAL | ||||
| 8 | ASP | PHE | GLN | GLU | PHE | VAL | VAL | LEU | VAL | ALA | ||||
| 9 | ALA | LEU | THR | VAL | ALA | CYS | ASN | ASN | PHE | PHE | ||||
| 10 | TRP | GLU | ASN | SER |
Entity 2, RyRP12 12 residues - Formula weight is not available
| 1 | LYS | LYS | ALA | VAL | TRP | HIS | LYS | LEU | LEU | SER | ||||
| 2 | LYS | GLN |
Entity 3, CALCIUM ION, 1 - Formula weight is not available
| 1 | CA |
Samples:
sample_1: S100A1, [U-99% 13C; U-99% 15N], 0.5 – 1.2 mM; RyRP120.35 – 3 mM; D2O 10%; DTT 15 mM; TRIS 15 mM; sodium chloride 15 mM; calcium chloride 10 mM
sample_conditions_1: ionic strength: 0.05 M; pH: 7.2; pressure: 1 atm; temperature: 310 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 C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 4D 15N, 13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 4D 14N, 15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| HC(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
NMR spectrometers:
- Bruker DMX 600 MHz
- Bruker Avance 800 MHz
Related Database Links:
| BMRB | 16050 4285 |
| PDB | |
| GB | AAB20539 AAB53657 EDM00555 |
| REF | NP_001007637 XP_006232665 |
| SP | P35467 |
| AlphaFold | P35467 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts