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Table 1 Effect of protonation on the barrier ΔEǂ of the concurrent reaction [a]

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

nP = 0

nP = 1

nP = 2

nP = 3

44.0

α:

[b]

αγ:

34.5

αβγ:

39.9

 

β:

[b]

αβ:

[b]

  
 

γ:

32.4

βγ:

35.1

  
  1. [a] ΔEǂ is the energy (AM1/d in kcal mol−1) difference between the optimized reactant and the rate limiting transition state (saddle point). nP is the number of protons on the triphosphate (α, β and γ indicate which phosphate group is protonated). [b] Various searches for a concurrent reaction failed (hydrolysis always proceeded through a sequential mechanism, see Table 2)
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BMC Biochemistry

ISSN: 1471-2091

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