BMRB Entry 50241
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50241
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NMR-STAR v3 text file.
XML gzip file.
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Citation: Shin, Kyungsoo; Kent, James; Singh, Chandan; Fujimoto, Lynn; Yu, Jinghua; Tian, Ye; Im, Wonpil; Marassi, Francesca. "Calcium and hydroxyapatite binding site of human vitronectin provides new insights to abnormal deposit formation" Proc. Natl. Acad. Sci. U.S.A. 117, 18504-18510 (2020).
PubMed: 32699145
Assembly members:
entity_1, polymer, 204 residues, Formula weight is not available
entity_CA, non-polymer, 40.078 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET23a
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 529 |
| 15N chemical shifts | 176 |
| 1H chemical shifts | 176 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Vitronectin hemopexin-like domain | 1 |
| 2 | Calcium ion, 1 | 2 |
Entities:
Entity 1, Vitronectin hemopexin-like domain 204 residues - Formula weight is not available
| 1 | MET | GLU | LEU | CYS | SER | GLY | LYS | PRO | PHE | ASP | ||||
| 2 | ALA | PHE | THR | ASP | LEU | LYS | ASN | GLY | SER | LEU | ||||
| 3 | PHE | ALA | PHE | ARG | GLY | GLN | TYR | SER | TYR | GLU | ||||
| 4 | LEU | ASP | GLU | LYS | ALA | VAL | ARG | PRO | GLY | TYR | ||||
| 5 | PRO | LYS | LEU | ILE | ARG | ASP | VAL | TRP | GLY | ILE | ||||
| 6 | GLU | GLY | PRO | ILE | ASP | ALA | ALA | PHE | THR | ARG | ||||
| 7 | ILE | ASN | SER | GLN | GLY | LYS | THR | TYR | LEU | PHE | ||||
| 8 | LYS | GLY | SER | GLN | TYR | TRP | ARG | PHE | GLU | ASP | ||||
| 9 | GLY | VAL | LEU | ASP | PRO | ASP | TYR | PRO | ARG | ASN | ||||
| 10 | ILE | SER | ASP | GLY | PHE | ASP | GLY | ILE | PRO | ASP | ||||
| 11 | ASN | VAL | ASP | ALA | ALA | LEU | ALA | LEU | PRO | ALA | ||||
| 12 | HIS | SER | TYR | SER | GLY | ARG | GLU | ARG | VAL | TYR | ||||
| 13 | PHE | PHE | LYS | GLY | LYS | GLN | TYR | TRP | GLU | TYR | ||||
| 14 | GLN | PHE | GLN | ARG | THR | SER | ALA | GLY | THR | ARG | ||||
| 15 | GLN | PRO | GLN | PHE | ILE | SER | ARG | ASP | TRP | HIS | ||||
| 16 | GLY | VAL | PRO | GLY | GLN | VAL | ASP | ALA | ALA | MET | ||||
| 17 | ALA | GLY | ARG | ILE | SER | VAL | PHE | PHE | PHE | SER | ||||
| 18 | GLY | ASP | LYS | TYR | TYR | ARG | VAL | ASN | LEU | ARG | ||||
| 19 | THR | ARG | ARG | VAL | ASP | THR | VAL | ASP | PRO | PRO | ||||
| 20 | TYR | PRO | ARG | SER | ILE | ALA | GLN | TYR | TRP | LEU | ||||
| 21 | GLY | CYS | PRO | ALA |
Entity 2, Calcium ion, 1 - Ca - 40.078 Da.
| 1 | CA |
Samples:
sample_1: Vitronectin hemopexin-like domain, [U-100% 13C; U-100% 15N], 90 uM; CaCl2 2 mM; MES 20 mM; NaCl 300 mM; DHPC 4.5 mM
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 303.15 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNmr Analysis v2.4.2 - chemical shift assignment, data analysis, peak picking
TALOS-N - data analysis
TOPSPIN - collection, processing
NMR spectrometers:
- Bruker Avance 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks