Toward a quantum-mechanical description of metal-assisted phosphoryl transfer in pyrophosphatase -- Data Supplement - Supplemental Figures -- Proceedings of the National Academy of Sciences

Supplementary material for Heikinheimo et al. (March 6, 2001) Proc. Natl. Acad. Sci. USA, 10.1073/pnas.061612498

Fig. 5.
Electron density and the final models. (a) Model of pyrophosphate, F^–, Na⁺, and D117 in 5-s simulated annealing electron density map in A-PPase:FPPi. Metal ions are also displayed for clarity. Covalent bonding in "up" conformation is in yellow and "down" in orange. (b) Model of residues 116–117 in A-PPase:Pi2 F_o – F_c omit map in contoured at 3.0 s (coloring as in a).