Computational study of the outer membrane enzyme OmpT

Supplementary information to published work

	      A graphic depicting the two outer membrane enzymes Ompla
		on the left and Ompt on the right.

We recently published computational work on OmpT where we describe molecular dynamics simulations and docking of several tetra-peptides. [[Baaden 2004]] We refined one of the OmpT-ARRA complexes to examine the interactions of the enzyme with its substrate. Bearing in mind the simple docking procedure used and the approximate nature of the resulting complex, we provide a VRML model of the complex as supplementary information. It can be accessed via the link on the image below.

	      A view inside the active site of the refined
	      complex between outer membrane enzyme Ompt and the
	      substrate ARRA.

[Baaden 2004] M. Baaden and M.S. Sansom : "“OMPT: Molecular Dynamics simulations of an outer membrane enzyme”", Biophysical J. 87, 2004, 2942-2953.