. 2021 Jun 5;297(1):100857. doi: 10.1016/j.jbc.2021.100857

Table 1.

EHPath calculations for WT and mutant OxDC

Mutant	Fastest pathway	Residence time [ms]	Rate [s⁻¹]
WT (inter)	Mn_C – dimer(W96/W274)–Mn_N	8.10	123
WT (intra)	Mn_C’–Y284–Y281–W102–Mn_N	735	1.29·10⁻⁴
W96F	Mn_C–W274–W348–Mn_N	32.8	30.5
W96Y	Mn_C–W274–Y96–Mn_N	8.37	119
W274F	Mn_C–Y320–W171–W96–Mn_N	52.9	18.9
W274Y	Mn_C–Y274–W96–Mn_N	9.27	108
W96F/W274F	Mn_C–W171–W348–Mn_N	98.3	10.2
W96Y/W274Y	Mn_C–Y274–Y96–Mn_N	9.27	108

Inter refers to hole hopping between neighboring protein subunits, and intra refers to hole hopping through the interior of a single subunit. Mn_C refers to the C-terminal Mn ion, assumed to be the hole donor, and Mn_N refers to the N-terminal one, the presumed hole acceptor. Please note that these Mn ions are on neighboring subunits of the protein. Mn_C’ is the C-terminal Mn on the same subunit as the N-terminal Mn.