Crystallization (Comment) | Organism |
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modelling the conversion of 5-enolpyruvylshikimate-3-phosphate to chorismate in chorismate synthase unsing B3LYP density functional theory and ab initio QM/MM methods, based on PDB entry 1QXO. In the reaction mechanism phosphate elimination precedes proton transfer. B3LYP predicts reaction energetics that are qualitatively wrong | Streptococcus pneumoniae |
Organism | UniProt | Comment | Textmining |
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Streptococcus pneumoniae | P0A2Y6 | - |
- |