Decrypting the programming of beta-methylation in virginiamycin M biosynthesis.
Hybrid non ribosomal peptide synthetase-polyketide synthase
GPGSAAADDGRRAELADRVSRTVADTIGRPAGSIGGHTSLESMGLDSVMIRALASRLSAEVAPVGPEMLFGLRDLDELVD HLVAAR
structures with the least restraint violations
1.0 mM [U-100% 13C; U-100% 15N] virginiamycin ACP6, 100 mM sodium phosphate, 0.5 mM TCEP, 90% H2O/10% D2O
Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman
AAADDGRRAELADRVSRTVADTIGRPAGSIGGHTSLESMGLDSVMIRALASRLSAEVAPVGPEMLFGLRDLDELVDHLVA AR