Table 2. For a subset of ART proteins containing active site residues and geometrics, % of pockets that have a significant p-value to the native enzymatic pocket.
| Native enzyme | Enzyme Commission
(EC) number |
% (number) of ART
structures whose active site pocket has a p-value <0.05 |
Number of
residues in the native pocket |
Template modeling
(TM)-score of ART template to native 39 |
|---|---|---|---|---|
| 2a8yB-ART1 a | 2.4.2.28 | 0% (0/11,680) | 25 | 0.25 |
| 2cstA-ART1 | 2.6.1.1 | 0.33% (39/11,680) | 14 | 0.23 |
| 2fniA-ART1 a | 2.6.1.92 | 0 (0/11,680) | 45 | 0.25 |
| 1im5A-ART1 | 3.5.1.19 | 0.027% (3/11,520) | 17 | 0.27 |
| 1kopB-ART1 | 4.2.1.1 | 0.21% (24/11,680) | 26 | 0.28 |
| 1nu3A-ART1 | 3.3.2.8 | 0.38% (82/211,440) | 21 | 0.27 |
| 1oygA-ART1 a | 2.4.1.10 | 0.0% (4/11,680) | 32 | 0.23 |
| 1oygA-ART2 | 2.4.1.10 | 0.043% (5/11,680) | 32 | 0.17 |
| 1sd1A-ART1 | 2.4.2.28 | 1.4% (167/11,680) | 31 | 0.23 |
| 1sd1A-ART2 a | 2.4.2.28 | 0 (0/11,520) | 31 | 0.27 |
| 1w23B-ART1 b | 2.6.1.52 | 0% (0/221,280) | 10 | 0.19 |
| 1xffA-ART1 | 2.6.1.16 | 1.8% (211/11,680) | 28 | 0.34 |
| 1yxhA-ART1 | 3.1.1.4 | 0.45% (52/11,520) | 34 | 0.35 |
| 2z2xA-ART1 | 3.4.21.62 | 0% (0/11,680) | 27 | 0.26 |
aNo pockets matched even without the active site residue matching restraint imposed.
b8/221,280 pockets match without the active site residue matching restraint imposed.