Hydroxylation and Ring-Opening Mechanism
✍
Boxue Tian; Yaoquan Tu; Åke Strid; Leif A. Eriksson
📂
Article
📅
2010
🏛
John Wiley and Sons
🌐
English
⚖ 645 KB
## Abstract Hybrid meta‐GGA density functional theory (the MPWB1K functional) was used to study the hydroxylation and ring‐opening mechanism of 2‐methyl‐3‐hydroxypyridine‐5‐carboxylic acid oxygenase (MHPCO). This enzyme catalyses the conversion of 2‐methyl‐3‐hydroxypyridine‐5‐carboxylic acid (MHPC)