Pertussis toxin subunit 1 (ptxA) is a 269-residue protein from Bordetella pertussis (strain Tohama I / ATCC BAA-589 / NCTC 13251). This is its AlphaFold structure prediction, created 1 Aug 2025. UniProt accession: P04977.
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The mean pLDDT of this model is 89.7 (confident overall). pLDDT is AlphaFold's per-residue confidence score from 0 to 100. In MolViewer, choose the B-factor color scheme to color the model by pLDDT, because AlphaFold stores it in the B-factor column.
| pLDDT band | Meaning | Share of residues |
|---|---|---|
| Above 90 | Very high: backbone and side chains are usually accurate | 80% |
| 70 to 90 | Confident: backbone generally right | 4% |
| 50 to 70 | Low: treat with caution | 10% |
| Below 50 | Very low: often disordered regions | 6% |
What pLDDT means and how to read it
S1 is an NAD-dependent ADP-ribosyltransferase, which plays a crucial role in the pathogenesis of B.pertussis causing disruption of normal host cellular regulation. It catalyzes the ADP-ribosylation of a cysteine in the alpha subunit of host heterotrimeric G proteins. In the absence of G proteins it also catalyzes the cleavage of NAD(+) into ADP-ribose and nicotinamide. It irreversibly uncouples the G-alpha GTP-binding proteins from their membrane receptors
Pertussis toxin contains five different chains, S1-S5. They are organized into 2 functional subunits: A, composed of S1 (which is toxic) and B, containing S2, S3, S5, and two copies of S4 (B binds to the membrane receptors). Dimers of S2-S4 and S3-S4 are held together by S5
Secreted
Compare the prediction with experimentally determined structures of the same protein:
| PDB ID | Method | Resolution | Chains and residues |
|---|---|---|---|
| 7SNE | X-ray | 1.0 Å | A/B/C/D=36-216 |
| 7SKI | X-ray | 1.1 Å | A/B=36-214 |
| 7U6Z | X-ray | 1.3 Å | A/B=36-216 |
| 7SKY | X-ray | 1.37 Å | A/B/C/D=36-216 |
| 7SKK | X-ray | 1.65 Å | A/B/C/D=36-216 |
| 6RO0 | X-ray | 2.13 Å | A/G=1-269 |
| 1BCP | X-ray | 2.7 Å | A/G=35-269 |
| 1PRT | X-ray | 2.9 Å | A/G=36-269 |
| 1PTO | X-ray | 3.5 Å | A/G=26-269 |
| 9MR7 | EM | 3.56 Å | A=35-269 |
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