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. 2007 May 21;104(23):9661–9666. doi: 10.1073/pnas.0702238104

Table 1.

LRA electrostatic contributions

System ΔΔGelec(2Å)w→p ΔΔGelec(4Å)w→p ΔΔGelec(2Å→4Å)w→p
Ring1 −12.8 −13.3 −0.5
Ring2 −26.9 −32.0 −5.1
Ring3 5.0 1.9 −3.1

Energies are in kcal/mol. The calculated values were obtained by using Eq. 1 to evaluate the free energy of charging the indicated system. The Co-C bond distance (in Å) is given in brackets with the given charge state [e.g., Q(2Å) for 2-Å distance]. Ring1, ring2, and ring3 represent, respectively, Co + corrin + Im, ribose, and adenine.