Evidence of a double-lid movement in Pseudomonas aeruginosa lipase: insights from molecular dynamics simulations.
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ABSTRACT:
SUBMITTER: Cherukuvada SL
PROVIDER: S-EPMC1187864 | biostudies-literature | 2005 Aug
REPOSITORIES: biostudies-literature
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Evidence of a double-lid movement in Pseudomonas aeruginosa lipase: insights from molecular dynamics simulations.
Cherukuvada Subbulakshmi Latha SL Seshasayee Aswin Sai Narain AS Raghunathan Krishnan K Anishetty Sharmila S Pennathur Gautam G
PLoS computational biology 20050812 3
Pseudomonas aeruginosa lipase is a 29-kDa protein that, following the determination of its crystal structure, was postulated to have a lid that stretched between residues 125 and 148. In this paper, using molecular dynamics simulations, we propose that there exists, in addition to the above-mentioned lid, a novel second lid in this lipase. We further show that the second lid, covering residues 210-222, acts as a triggering lid for the movement of the first. We also investigate the role of hydrop ...[more]
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