Table 4 Binding cavity size and area
WILD | ||||||
|---|---|---|---|---|---|---|
CAVITY | 0 ns | 5 ns | 10 ns | 15 ns | 20 ns | 1OHR |
VOLUME (Å 3 ) | 1186.1 | 976.3 | 990.3 | 113.3 | 1097.3 | 1186.1 |
AREA (Å 2 ) | 705.9 | 612.3 | 734.6 | 739.645 | 645.3 | 705.9 |
DBM | ||||||
CAVITY | 0 ns | 5 ns | 10 ns | 15 ns | 20 ns | Representative |
VOLUME (Å 3 ) | 1156.0 | 790.6 | 1271.5 | 1403.2 | 1024.1 | 1375.5 |
AREA (Å 2 ) | 686.2 | 505.4 | 697.7 | 771.6 | 757.0 | 732.1 |
TPM | ||||||
CAVITY | 0 ns | 5 ns | 10 ns | 15 ns | 20 ns | Representative |
VOLUME (Å 3 ) | 1156.0 | 1257.8 | 938.3 | 820.2 | 801.2 | 1042.5 |
AREA (Å 2 ) | 686.2 | 753.9 | 554.8 | 572.9 | 498.5 | 634.3 |