BMRB Entry 28050
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR28050
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Citation: Weber, David; Xu, Xingjian; Godoy-Ruiz, Raquel; Adipietro, Kaylin A. Adipietro; Peralta, Christopher; Ben-Hail, Danya; Varney, Kristen; Cook, Mary; Roth, Braden; Wilder, Paul; Cleveland, Thomas; Grishaev, Alexander; Neu, Heather M. Neu; Michel, Sarah; Yu, Wenbo; Beckett, Dorothy; Rustandi, Richard; Lancaster, Catherine; Loughney, John; Kristopeit, Adam; Christanti, Sianny; Olson, Jessica; MacKerell, Alex; des Georges, Amedee; Pozharski, Edwin. "Structure of the cell-binding component of the Clostridium difficile binary toxin reveals a novel macromolecular assembly" Proc. Natl. Acad. Sci. U.S.A. 117, 1049-1058 (2020).
PubMed: 31896582
Assembly members:
CDTb_receptor_binding_domain_1, polymer, 136 residues, Formula weight is not available
entity_CA, non-polymer, 40.078 Da.
Natural source: Common Name: Clostridium difficile Taxonomy ID: 1496 Superkingdom: Bacteria Kingdom: not available Genus/species: Clostridium difficile
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21
Entity Sequences (FASTA):
CDTb_receptor_binding_domain_1: DDDDKPTYFTNFDDYNNYPS
TWSNVNTTNQDGLQGSANKL
NGETKIKIPMSELKPYKRYV
FSGYSKDPLTSNSIIVKIKA
KEEKTDYLVPEQGYTKFSYE
FETTEKDSSNIEITLIGSGT
TYLDNLSITELNSTPE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 437 |
| 15N chemical shifts | 119 |
| 1H chemical shifts | 119 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | RBD1, chain 1 | 1 |
| 2 | RBD1, chain 2 | 1 |
| 3 | RBD1, chain 3 | 1 |
| 4 | RBD1, chain 4 | 1 |
| 5 | CALCIUM ION | 2 |
Entities:
Entity 1, RBD1, chain 1 136 residues - Formula weight is not available
| 1 | ASP | ASP | ASP | ASP | LYS | PRO | THR | TYR | PHE | THR | ||||
| 2 | ASN | PHE | ASP | ASP | TYR | ASN | ASN | TYR | PRO | SER | ||||
| 3 | THR | TRP | SER | ASN | VAL | ASN | THR | THR | ASN | GLN | ||||
| 4 | ASP | GLY | LEU | GLN | GLY | SER | ALA | ASN | LYS | LEU | ||||
| 5 | ASN | GLY | GLU | THR | LYS | ILE | LYS | ILE | PRO | MET | ||||
| 6 | SER | GLU | LEU | LYS | PRO | TYR | LYS | ARG | TYR | VAL | ||||
| 7 | PHE | SER | GLY | TYR | SER | LYS | ASP | PRO | LEU | THR | ||||
| 8 | SER | ASN | SER | ILE | ILE | VAL | LYS | ILE | LYS | ALA | ||||
| 9 | LYS | GLU | GLU | LYS | THR | ASP | TYR | LEU | VAL | PRO | ||||
| 10 | GLU | GLN | GLY | TYR | THR | LYS | PHE | SER | TYR | GLU | ||||
| 11 | PHE | GLU | THR | THR | GLU | LYS | ASP | SER | SER | ASN | ||||
| 12 | ILE | GLU | ILE | THR | LEU | ILE | GLY | SER | GLY | THR | ||||
| 13 | THR | TYR | LEU | ASP | ASN | LEU | SER | ILE | THR | GLU | ||||
| 14 | LEU | ASN | SER | THR | PRO | GLU |
Entity 2, CALCIUM ION - Ca - 40.078 Da.
| 1 | CA |
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