In silico Prediction and Docking of Tertiary Structure of LuxI, an Inducer Synthase of Vibrio fischeri.

ABSTRACT:

Background

LuxI is a component of the quorum sensing signaling pathway in Vibrio fischeriresponsible for the inducer synthesis that is essential for bioluminescence.

Methods

Homology modeling of LuxI was carried out using Phyre2 and refined with the GalaxyWEB server. Five models were generated and evaluated by ERRAT, ANOLEA, QMEAN6, and Procheck.

Results

Five refined models were generated by the GalaxyWEB server, with Model 4 having the greatest quality based on the QMEAN6 score of 0.732. ERRAT analysis revealed an overall quality of 98.9%, while the overall quality of the initial model was 54%. The mean force potential energy, as analyzed by ANOLEA, were better compared to the initial model. Sterochemical quality estimation by Procheck showed that the refined Model 4

SUBMITTER: Al-Khayyat MZ 

PROVIDER: S-EPMC4986264 | biostudies-literature | 2016 Apr

REPOSITORIES: biostudies-literature