BMRB Entry 15704
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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/BMR15704
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Wright, Nathan; Prosser, Benjanmin; Varney, Kristen; Zimmer, Danna; Schneider, Martin; Weber, David. "S100A1 and calmodulin compete for the same binding site on ryanodine receptor" J. Biol. Chem. ., 26676-26683 (2008).
PubMed: 18650434
Assembly members:
S100A1, polymer, 12 residues, 1492.905 Da.
calmodulin, polymer, 93 residues, 10439.711 Da.
CA, non-polymer, 40.078 Da.
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: pET14b
Entity Sequences (FASTA):
S100A1: KKAVWHKLLSKQ
calmodulin: GSELETAMETLINVFHAHSG
KEGDKYKLSKKELKDLLQTE
LSSFLDVQKDADAVDKIMKE
LDENGDGEVDFQEFVVLVAA
LTVACNNFFWENS
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 7 |
| 1H chemical shifts | 91 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | S100A1_1 | 1 |
| 2 | S100A1_2 | 1 |
| 3 | calmodulin_1 | 2 |
| 4 | calmodulin_2 | 2 |
| 5 | CALCIUM ION_1 | 3 |
| 6 | CALCIUM ION_2 | 3 |
| 7 | CALCIUM ION_3 | 3 |
Entities:
Entity 1, S100A1_1 12 residues - 1492.905 Da.
| 1 | LYS | LYS | ALA | VAL | TRP | HIS | LYS | LEU | LEU | SER | ||||
| 2 | LYS | GLN |
Entity 2, calmodulin_1 93 residues - 10439.711 Da.
| 1 | GLY | SER | GLU | LEU | GLU | THR | ALA | MET | GLU | THR | ||||
| 2 | LEU | ILE | ASN | VAL | PHE | HIS | ALA | HIS | SER | GLY | ||||
| 3 | LYS | GLU | GLY | ASP | LYS | TYR | LYS | LEU | SER | LYS | ||||
| 4 | LYS | GLU | LEU | LYS | ASP | LEU | LEU | GLN | THR | GLU | ||||
| 5 | LEU | SER | SER | PHE | LEU | ASP | VAL | GLN | LYS | ASP | ||||
| 6 | ALA | ASP | ALA | VAL | ASP | LYS | ILE | MET | LYS | GLU | ||||
| 7 | LEU | ASP | GLU | ASN | GLY | ASP | GLY | GLU | VAL | ASP | ||||
| 8 | PHE | GLN | GLU | PHE | VAL | VAL | LEU | VAL | ALA | ALA | ||||
| 9 | LEU | THR | VAL | ALA | CYS | ASN | ASN | PHE | PHE | TRP | ||||
| 10 | GLU | ASN | SER |
Entity 3, CALCIUM ION_1 - Ca - 40.078 Da.
| 1 | CA |
Samples:
sample_1: CALCIUM ION 10-15 mM; entity_1, [U-100% 13C; U-100% 15N], 1-3 mM; entity_2 2-6 mM; D2O 10%
sample_conditions_1: ionic strength: 45 mM; 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 CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 13C ed 12C filt NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Zhengrong and Bax - chemical shift assignment, processing
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker DMX 600 MHz
Related Database Links:
| BMRB | 16050 4285 6583 |
| PDB | |
| GB | AAB20539 AAB53657 EDM00555 |
| REF | NP_001007637 XP_006232665 |
| SP | P35467 |
| AlphaFold | D7UNT3 P35467 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks