Table 2. The geometry properties of the TtCM active site.
Property | GS | NAC | TS | Product |
---|---|---|---|---|
Interaction distance, Å | ||||
CHO—Phe-57* | 5.35 | 5.48 | 5.43 | 5.50 |
CHO—Ala-59* | 4.94 | 4.67 | 5.22 | 4.73 |
CHO—Arg-63* | 7.94 | 7.75 | 8.02 | 7.82 |
CHO—Leu-72* | 6.22 | 6.21 | 6.01 | 6.28 |
CHO—Leu-73* | 6.48 | 6.45 | 6.06 | 6.58 |
CHO—Ser-74* | 6.24 | 6.34 | 6.22 | 6.34 |
CHO—Arg-6 | 6.19 | 6.28 | 6.18 | 6.21 |
CHO—Glu-77 | 6.79 | 6.80 | 6.67 | 7.03 |
CHO—Arg-89 | 5.20 | 5.10 | 5.14 | 5.09 |
CHO—Tyr-107 | 7.37 | 7.48 | 7.31 | 7.33 |
CHO—Leu-114 | 5.98 | 6.00 | 6.18 | 6.07 |
CHO—Arg-115 | 6.63 | 6.74 | 6.22 | 5.91 |
RG, Å | 7.20 | 7.22 | 7.23 | 7.20 |
Cavity volume, Å3 | 178.36 | 168.36 | 162.58 | 167.38 |
The interaction distances are defined as the average distances between the geometric centers of chorismate and the residue side chains that are within 6 Å of chorismate. The residues labeled with an asterisk are from the adjacent subunit. CHO denotes chorismate. RG stands for the radius of gyration of the heavy atoms of residues within 6 Å of chorismate. The cavity volume of the active site is surrounded by the residues in the vicinity of the chorismate.