TABLE 4.
Binding sites predicted from KatG of E. coli using the protein-plus server (http://proteinsplus.zbh.uni-hamburg.de).
| Name | Volume ų | Surface Å2 | Drug score | Simple score |
|---|---|---|---|---|
| P_0 | 640.77 | 617.29 | 0.87 | 0.37 |
| P_1 | 628.67 | 967.66 | 0.72 | 0.47 |
| P_10 | 106.88 | 62.72 | 0.38 | 0 |
| P_2 | 352.13 | 718.09 | 0.8 | 0.25 |
| P_3 | 229.38 | 423.13 | 0.62 | 0 |
| P_4 | 176.26 | 248.18 | 0.39 | 0.02 |
| P_5 | 145.86 | 318.6 | 0.36 | 0 |
| P_6 | 141.31 | 297.76 | 0.27 | 0.01 |
| P_7 | 134.53 | 376.65 | 0.37 | 0 |
| P_8 | 128.64 | 300.67 | 0.27 | 0 |
| P_9 | 114.88 | 255.86 | 0.19 | 0 |