BMRB Entry 17061
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17061
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Citation: Charpentier, Thomas; Thompson, Laura; Liriano, Melissa; Varney, Kristen; Wilder, Paul; Pozharski, Edwin; Toth, Eric; Weber, David. "The Effects of CapZ Peptide (TRTK-12) Binding to S100B-Ca2+ as Examined by NMR and X-ray Crystallography" J. Mol. Biol. 396, 1227-1243 (2010).
PubMed: 20053360
Assembly members:
S100BE72A, polymer, 91 residues, Formula weight is not available
CA, non-polymer, 40.078 Da.
Natural source: Common Name: cattle Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: ns
Entity Sequences (FASTA):
S100BE72A: SELEKAVVALIDVFHQYSGR
EGDKHKLKKSELKELINNEL
SHFLEEIKEQEVVDKVMETL
DSDGDGECDFQAFMAFVAMI
TTACHEFFEHE
- binding_constants
| Data type | Count |
| binding constants | 1 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | S100BE72A | 1 |
| 2 | CA | 2 |
Entities:
Entity 1, S100BE72A 91 residues - Formula weight is not available
| 1 | SER | GLU | LEU | GLU | LYS | ALA | VAL | VAL | ALA | LEU | ||||
| 2 | ILE | ASP | VAL | PHE | HIS | GLN | TYR | SER | GLY | ARG | ||||
| 3 | GLU | GLY | ASP | LYS | HIS | LYS | LEU | LYS | LYS | SER | ||||
| 4 | GLU | LEU | LYS | GLU | LEU | ILE | ASN | ASN | GLU | LEU | ||||
| 5 | SER | HIS | PHE | LEU | GLU | GLU | ILE | LYS | GLU | GLN | ||||
| 6 | GLU | VAL | VAL | ASP | LYS | VAL | MET | GLU | THR | LEU | ||||
| 7 | ASP | SER | ASP | GLY | ASP | GLY | GLU | CYS | ASP | PHE | ||||
| 8 | GLN | ALA | PHE | MET | ALA | PHE | VAL | ALA | MET | ILE | ||||
| 9 | THR | THR | ALA | CYS | HIS | GLU | PHE | PHE | GLU | HIS | ||||
| 10 | GLU |
Entity 2, CA - Ca - 40.078 Da.
| 1 | CA |
Samples:
sample_1: S100BE72A, [U-15N], 0.25 mM; TRTK-12 0.625 mM; sodium azide 0.34 mM; sodium chloride 15 mM; calcium chloride 15 mM; Tes buffer 10 mM; H2O 90%; D2O 10%
sample_conditions_1: 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 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
NMRView, Johnson, One Moon Scientific - data analysis
NMR spectrometers:
- Bruker Avance 800 MHz
Related Database Links:
| PDB | |
| GB | AAA72205 AAI03042 AAI34728 ABA39829 AGG82675 |
| PRF | 0408231A |
| REF | NP_001029727 XP_005902390 XP_006047095 XP_010833159 |
| SP | P02638 |
| TPG | DAA32950 |
| AlphaFold | P02638 |