Literature summary for 3.2.1.4 extracted from

Lian, P.; Guo, H.; Smith, J.; Wei, D.; Guo, H.
Catalytic mechanism and origin of high activity of cellulase TmCel12A at high temperature: A quantum mechanical/molecular mechanical study (2014), Cellulose, 21, 937-949.

No PubMed abstract available

Crystallization (Commentary)

Crystallization (Comment)	Organism
free energy simulations and quantum mechanical/molecular mechanical potential at both 37°C and 85°C. The free energy barriers for glycosylation and deglycosylation are 22.5 and 24.5 kcal/mol at 85°C, respectively. The barrier for deglycosylation decreases with increasing temperature or as a result of the Y61G mutation, consistent with experimental observations. The transition state for glycosylation and deglycosylation is in an oxocarbonium state with the -1 glucose ring having an E3 envelop (or 4H3 half-chair) conformation. A stable moiety exists that may play a role in holding cellulose at the binding site with the correct orientation for the reaction even at 85°C	Thermotoga maritima

Crystallization (Comment)

Organism

free energy simulations and quantum mechanical/molecular mechanical potential at both 37°C and 85°C. The free energy barriers for glycosylation and deglycosylation are 22.5 and 24.5 kcal/mol at 85°C, respectively. The barrier for deglycosylation decreases with increasing temperature or as a result of the Y61G mutation, consistent with experimental observations. The transition state for glycosylation and deglycosylation is in an oxocarbonium state with the -1 glucose ring having an E3 envelop (or 4H3 half-chair) conformation. A stable moiety exists that may play a role in holding cellulose at the binding site with the correct orientation for the reaction even at 85°C

Thermotoga maritima

Organism

Organism	UniProt	Comment	Textmining
Thermotoga maritima	Q60032	-	-

Synonyms

Synonyms	Comment	Organism
CelA	-	Thermotoga maritima

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Release 2023.1 (January 2023)