Protein Information

Name acylase
Synonyms ACY 1; ACY1; ACY1D; ACYLASE; Aminoacylase 1; N acyl L amino acid amidohydrolase; Aminoacylase 1s; N acyl L amino acid amidohydrolases

Compound Information

Name sulfoxide
CAS 5-[2-(octylsulfinyl)propyl]-1,3-benzodioxole

Reference List

PubMed Abstract RScore(About this table)
18294130 Chilov GG, Stroganov OV, Svedas VK: Molecular modeling studies of substrate binding by penicillin acylase. . Biochemistry. 2008 Jan;73(1):56-64.

Three MD trajectories were launched, starting from PDB complexes of the inactive mutant enzyme with PG (1FXV) and native penicillin acylase with sluggishly hydrolyzed substrate analog penicillin G sulfoxide (1GM9), or from the complex obtained by PG docking.
84(1,1,1,4) Details