Table 2.
The sensitivity and specificity in predicting the functional class of 100 metzincin structures (in all 4 Enzyme Commission digits), after discriminating each from 300 structures of other enzymes and structures of metzincins of other subfamilies with different E.C. digits. These predictions require locating the correct binding pockets from 900 surface pockets of non-metzincin enzymes and 100 surface pockets on metzincins. “Signature”: Using similarity to individual signature pockets, with MMPs excluded; “Basis Set”: Using similarity to each basis set, with MMPs included.
| Class | Signature | Basis Set | ||
|---|---|---|---|---|
| Sensitivity | Specificity | Sensitivity | Specificity | |
| Bontoxilysin | 0.97 | 0.91 | 0.97 | 0.91 |
| Ser-protease | 0.86 | 0.83 | 0.87 | 0.84 |
| Astacin | 0.89 | 0.85 | 0.89 | 0.85 |
| Thermolysin | 0.92 | 0.88 | 0.92 | 0.88 |
| Pep-lys-mep | 0.91 | 0.90 | 0.91 | 0.90 |
| Reprolysin | 0.92 | 0.91 | 0.93 | 0.91 |
| MMP | 0.90 | 0.89 | ||
| Overall | 0.85 | 0.81 | 0.95 | 0.85 |