Literature summary for 2.1.1.13 extracted from

Kumar, N.; Kozlowski, P.M.
Mechanistic insights for formation of an organometallic Co-C bond in the methyl transfer reaction catalyzed by methionine synthase (2013), J. Phys. Chem. B, 117, 16044-16057.

Crystallization (Commentary)

Crystallization (Comment)	Organism
hybrid quantum mechanics/molecular mechanics computations reveal the traditionally assumed SN2 mechanism for formation the CH3-cob(III)alamin resting state. The activation energy barrier for the SN2 reaction is 8-9 kcal/mol, which is comparable with respect to the determined experimental rate constant. Alternatively, an electron transfer based radical mechanism is possible, where first an electron transfer from His-on cob(I)alamin to the pterin ring of the protonated CH3-H4-folate takes place, forming the CoII(d7)-pterin radical diradical state, followed by a methyl radical transfer. The major advantage of electron transfer is that a methyl radical can be transferred at a longer distance, which does not require the close proximity of two binding modules of MetH as does the SN2 type. The protonation event must take place either prior to or during the methyl transfer reaction in a ternary complex	Thermotoga maritima

Crystallization (Comment)

Organism

hybrid quantum mechanics/molecular mechanics computations reveal the traditionally assumed SN2 mechanism for formation the CH3-cob(III)alamin resting state. The activation energy barrier for the SN2 reaction is 8-9 kcal/mol, which is comparable with respect to the determined experimental rate constant. Alternatively, an electron transfer based radical mechanism is possible, where first an electron transfer from His-on cob(I)alamin to the pterin ring of the protonated CH3-H4-folate takes place, forming the CoII(d7)-pterin radical diradical state, followed by a methyl radical transfer. The major advantage of electron transfer is that a methyl radical can be transferred at a longer distance, which does not require the close proximity of two binding modules of MetH as does the SN2 type. The protonation event must take place either prior to or during the methyl transfer reaction in a ternary complex

Thermotoga maritima

Organism

Organism	UniProt	Comment	Textmining
Thermotoga maritima	Q9WYA5	-	-
Thermotoga maritima ATCC 43589	Q9WYA5	-	-

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Release 2023.1 (January 2023)