BMRB Entry 6532
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6532
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NMR-STAR v3 text file.
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Title: Solution structure of apo-S100A13 PubMed: 16145699
Deposition date: 2005-03-03 Original release date: 2006-02-22
Authors: Arnesano, F.; Banci, L.; Bertini, I.; Fantoni, A.; Tenori, L.; Viezzoli, M.
Citation: Arnesano, F.; Banci, L.; Bertini, I.; Fantoni, A.; Tenori, L.; Viezzoli, M.. "Structural interplay between calcium(II) and copper(II) binding to S100A13 protein" Angew. Chem. Int. Ed. Engl. 44, 6341-6344 (2005).
Assembly members:
apo-S100A13, polymer, 98 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homon sapiens
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
apo-S100A13: MAAEPLTELEESIETVVTTF
FTFARQEGRKDSLSVNEFKE
LVTQQLPHLLKDVGSLDEKM
KSLDVNQDSELKFNEYWRLI
GELAKEIRKKKDLKIRKK
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 605 |
| 13C chemical shifts | 275 |
| 15N chemical shifts | 90 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | apo-S100A13 chain A | 1 |
| 2 | apo-S100A13 chain B | 1 |
Entities:
Entity 1, apo-S100A13 chain A 98 residues - Formula weight is not available
| 1 | MET | ALA | ALA | GLU | PRO | LEU | THR | GLU | LEU | GLU | ||||
| 2 | GLU | SER | ILE | GLU | THR | VAL | VAL | THR | THR | PHE | ||||
| 3 | PHE | THR | PHE | ALA | ARG | GLN | GLU | GLY | ARG | LYS | ||||
| 4 | ASP | SER | LEU | SER | VAL | ASN | GLU | PHE | LYS | GLU | ||||
| 5 | LEU | VAL | THR | GLN | GLN | LEU | PRO | HIS | LEU | LEU | ||||
| 6 | LYS | ASP | VAL | GLY | SER | LEU | ASP | GLU | LYS | MET | ||||
| 7 | LYS | SER | LEU | ASP | VAL | ASN | GLN | ASP | SER | GLU | ||||
| 8 | LEU | LYS | PHE | ASN | GLU | TYR | TRP | ARG | LEU | ILE | ||||
| 9 | GLY | GLU | LEU | ALA | LYS | GLU | ILE | ARG | LYS | LYS | ||||
| 10 | LYS | ASP | LEU | LYS | ILE | ARG | LYS | LYS |
Samples:
sample_1: apo-S100A13, [U-13C; U-15N], 1.5 mM; sodium acetate buffer 20 mM; D2O 10%
sample_cond_1: pH: 5.6; temperature: 298 K; ionic strength: 20 mM; pressure: 1 atm
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 13C-separated NOESY | not available | not available | not available |
| 3D 15N-separated NOESY | not available | not available | not available |
| HNHA | not available | not available | not available |
Software:
DYANA v5.1 - structure solution
AMBER v6 - refinement
NMR spectrometers:
- Bruker AVANCE 500 MHz
Related Database Links:
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts