Molecular docking and molecular dynamics simulations of a mutant Acinetobacter haemolyticus alkaline-stable lipase against tributyrin

• Main Authors: Khairul Anuar, Nurul Fatin Syamimi, Abdul Wahab, Roswanira, Huyop, Fahrul, Amran, Syazwani Itri, Abdul Hamid, Azzmer Azzar, Abd. Halim, Khairul Bariyyah, Mohammad Hood, Mohammad Hakim
• Format: Article
• Published: Taylor and Francis Ltd. 2021
• Subjects: QD Chemistry
• Online Access: http://eprints.utm.my/id/eprint/95655/; http://dx.doi.org/10.1080/07391102.2020.1743364

We previously reported on a mutant lipase KV1 (Mut-LipKV1) from Acinetobacter haemolyticus which optimal pH was raised from 8.0 to 11.0 after triple substitutions of surface aspartic acid (Asp) with lysine (Lys). Herein, this study further examined the Mut-LipKV1 by molecular docking, molecular dyna...