Figure 11
Electron-density omit maps (Fo − Fc) of the active-site regions of PTEs. The two Zn2+ ions and the OPs were omitted from the calculations. (a) Methylphosphonate was observed in the C23M_2 structure. (b) O-Ethyl methylphosphonic acid was observed in C23_5. However, the electron density could only account for the first C atom of the OCH2CH3 substituent. (c) O-Ethyl methylphosphonic acid, the hydrolysis product of O-ethyl-O-(N,N-diisopropylaminoethyl) methylphosphonate, was observed in the C23_4 structure. (d) O-Isopropyl methylphosphonic acid was observed in C23_2. The interatomic distances observed between the O atoms of the P—O bond in all OP acid products are 1.9–2.0 Å. The Fo − Fc omit map, contoured at 3σ, is shown in green. The six residues that bind to the two Zn2+ ions are shown as stick representations, with C atoms colored yellow, N atoms blue, O atoms red and P atoms orange. |