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. Author manuscript; available in PMC: 2018 Jan 3.
Published in final edited form as: Inorg Chem. 2016 Dec 15;56(1):313–320. doi: 10.1021/acs.inorgchem.6b02189

Figure 5. Spatial orientation of the six atoms (O3′, Pα, Oαβ; Mg(c), OA, Mg(n)) in the active site of DNA polymerase β during the insertion reaction.

Figure 5

(Red (initial state), green (transition state), blue (final state); coordinates are from QM/MM study (see Methods) using the frozen outer layer of the system atoms for fitting). The O3′ and Oαβ remain essentially stationary, whereas Pα changes position significantly along with OA. Mg(n) is relatively stationary, while Mg(c) changes position.