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Literature summary extracted from
- Comparison of DFT and ab initio QM/MM methods for modelling reaction in chorismate synthase (2014), Chem. Phys. Lett., 608, 380-385.
No PubMed abstract available
Crystallization (Commentary)
| EC Number | Crystallization (Comment) | Organism |
|---|---|---|
| 4.2.3.5 | 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
| EC Number | Organism | UniProt | Comment | Textmining |
|---|---|---|---|---|
| 4.2.3.5 | Streptococcus pneumoniae | P0A2Y6 | - |
- |
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Release 2023.1 (January 2023)
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