Table 3.
The occupancies of hbond interaction occurred between protein and substrate (Fructose) for the Wild-type and the Y68I/G109P Mutant type.
| System | Donor | Acceptor | Probability% |
|---|---|---|---|
| WT CbDPEase | FRU: O3 | GLU158: OE2 | 18.17 |
| FRU: O1 | GLU152: OE2 | 7.67 | |
| FRU: O1 | GLU158: OE2 | 5.17 | |
| FRU: O1 | GLU158: OE1 | 5.17 | |
| FRU: O4 | GLU158: OE2 | 5.58 | |
| HIS188: NE2 | FRU: O2 | 5.67 | |
| FRU: O6 | GLU34: OE1 | 16.33 | |
| GLY109: N | FRU: O2 | 8.08 | |
| Y68I/G109P CbDPEase | FRU: O6 | GLU158: OE2 | 20.92 |
| FRU: O5 | GLU158: OE2 | 17.83 | |
| FRU: O5 | GLU158: OE1 | 11.33 | |
| FRU: O1 | GLU158: OE1 | 5.67 | |
| FRU: O4 | GLU34: OE1 | 12.25 | |
| FRU: O1 | GLU34: OE2 | 11.50 | |
| FRU: O3 | GLU34: OE1 | 7.83 | |
| FRU: O1 | GLU246: OE2 | 6.00 | |
| FRU: O5 | ILE68: O | 7.83 | |
| TYR6: OH | FRU: O6 | 9.67 | |
| FRU: O6 | TYR6: OH | 9.67 | |
| TRP114: NE1 | FRU: O3 | 8.92 | |
| FRU: O3 | TRP114: NE1 | 8.92 | |
| FRU: O4 | TYR157: O | 7.17 | |
| FRU: O3 | GLU152: OE2 | 5.17 |