BMRB Entry 51066
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51066
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Citation: Silvers, Robert; Stephan, Jules; Griffin, Robert; Nolan, Elizabeth. "Molecular Basis of Ca(II)-Induced Tetramerization and Transition-Metal Sequestration in Human Calprotectin" J. Am. Chem. Soc. 143, 18073-18090 (2021).
PubMed: 34699194
Assembly members:
entity_1, polymer, 93 residues, 10833.46 Da.
entity_2, polymer, 114 residues, 13094.74 Da.
entity_CA, non-polymer, 40.078 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET41a
- assigned_chemical_shifts
- heteronucl_NOEs
- heteronucl_T1_relaxation
- heteronucl_T2_relaxation
| Data type | Count |
| 13C chemical shifts | 460 |
| 15N chemical shifts | 174 |
| 1H chemical shifts | 174 |
| T1 relaxation values | 160 |
| T2 relaxation values | 156 |
| heteronuclear NOE values | 155 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | S100A8 | 1 |
| 2 | S100A9 | 2 |
| 3 | Ca, 1 | 3 |
| 4 | Ca, 2 | 3 |
| 5 | Ca, 3 | 3 |
| 6 | Ca, 4 | 3 |
Entities:
Entity 1, S100A8 93 residues - 10833.46 Da.
| 1 | MET | LEU | THR | GLU | LEU | GLU | LYS | ALA | LEU | ASN | ||||
| 2 | SER | ILE | ILE | ASP | VAL | TYR | HIS | LYS | TYR | SER | ||||
| 3 | LEU | ILE | LYS | GLY | ASN | PHE | HIS | ALA | VAL | TYR | ||||
| 4 | ARG | ASP | ASP | LEU | LYS | LYS | LEU | LEU | GLU | THR | ||||
| 5 | GLU | SER | PRO | GLN | TYR | ILE | ARG | LYS | LYS | GLY | ||||
| 6 | ALA | ASP | VAL | TRP | PHE | LYS | GLU | LEU | ASP | LYS | ||||
| 7 | ASN | THR | ASP | GLY | ALA | VAL | ASN | PHE | GLN | GLU | ||||
| 8 | PHE | LEU | ILE | LEU | VAL | ILE | LYS | MET | GLY | VAL | ||||
| 9 | ALA | ALA | HIS | LYS | LYS | SER | HIS | GLU | GLU | SER | ||||
| 10 | HIS | LYS | GLU |
Entity 2, S100A9 114 residues - 13094.74 Da.
| 1 | MET | THR | SER | LYS | MET | SER | GLN | LEU | GLU | ARG | ||||
| 2 | ASN | ILE | GLU | THR | ILE | ILE | ASN | THR | PHE | HIS | ||||
| 3 | GLN | TYR | SER | VAL | LYS | LEU | GLY | HIS | PRO | ASP | ||||
| 4 | THR | LEU | ASN | GLN | GLY | GLU | PHE | LYS | GLU | LEU | ||||
| 5 | VAL | ARG | LYS | ASP | LEU | GLN | ASN | PHE | LEU | LYS | ||||
| 6 | LYS | GLU | ASN | LYS | ASN | GLU | LYS | VAL | ILE | GLU | ||||
| 7 | HIS | ILE | MET | GLU | ASP | LEU | ASP | THR | ASN | ALA | ||||
| 8 | ASP | LYS | GLN | LEU | SER | PHE | GLU | GLU | PHE | ILE | ||||
| 9 | MET | LEU | MET | ALA | ARG | LEU | THR | TRP | ALA | SER | ||||
| 10 | HIS | GLU | LYS | MET | HIS | GLU | GLY | ASP | GLU | GLY | ||||
| 11 | PRO | GLY | HIS | HIS | HIS | LYS | PRO | GLY | LEU | GLY | ||||
| 12 | GLU | GLY | THR | PRO |
Entity 3, Ca, 1 - Ca - 40.078 Da.
| 1 | CA |
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