A Wrench in the Works of Human Acetylcholinesterase: Soman Induced Conformational Changes Revealed by Molecular Dynamics Simulations
Fig 10
The soman adduct in hAChE as viewed from the gorge entrance.
Soman (yellow space-filled spheres) is mostly occluded by aromatic residues (blue space-filled spheres). The phosphoryl oxygen of the soman adduct is colored red. The aromatic sidechains sequester the soman adduct from the gorge thereby limiting access of traditional countermeasures. Figure created with VMD [11] and Tachyon [12].