Skip to main content

Table 3 Inter-atomic distances [Å] in the saddle point of metaphosphate formation [a]

From: Effects of protonation on the hydrolysis of triphosphate in vacuum and the implications for catalysis by nucleotide hydrolyzing enzymes

nP [b]   Pγ-Oβγ [c] Pγ-Oa [d]
0   2.32 2.83
1 α 1.92 2.47
1 β 1.72 2.51
2 αβ 1.85 2.45
2 βγ 2.02 2.34
2 αγ 2.12 2.33
3 αβγ 1.98 2.40
  1. [a] Structures corresponding to the energy ΔE 1 ǂ in Table 2. [b] nP is the number of protons on the triphosphate (α, β and γ indicate which phosphate is protonated. [c] Distance between Pγ and the leaving oxygen Oβγ (see Fig. 1d for atomic nomenclature). [d] Distance between Pγ and the attacking oxygen of water Wa