File:Dhfr.movie2.gif

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Karsten Theis

Summary

This is an archived copy of Michael Sawaya's DHFR movie (supplementary material to doi/10.1021/bi962337c, links no longer work), uploaded with the author's permission. The animation loop counter was set to infinite using EZgif.com.

From the original description:

Six isomorphous crystal structures of E. coli DHFR were solved (column 2 of table below), each structure analogous to a complex in the kinetic pathway (column 3 of table below). The largest motions observed correspond to M20 loop movements and subdomain movements (columns 4 & 5). These structures are depicted in the movie above in frames 01, 24, 25, 44, 51 and 56. Other frames were generated using the template forcing algorithm of the program Discover, part of a collection of programs from MSI. For further details, see Sawaya, M. R. & Kraut, J. Loop and Domain Movements in the Mechanism of E. Coli Dihydrofolate Reductase: Crystallographic Evidence. Biochemistry 1997.

Movie Frame 	Crystal Structure Analogue 	Analogous to 	PDB ID   M20 Loop 	Subdomain   
       01 	E*NH 	                        E*NH 	        1rx1     closed 	open
       24 	E*FOL*N+ 	                E*DHF*NH 	1rx2     closed 	closed
       25 	E*MTX*NH 	                E*DHF*NH 	1rx3     closed 	closed*
       44 	E*ddTHF*ATP-ribose 	        E*THF*N+ 	1rx4     occluded 	open
       51 	E*ddTHF 	                E*THF 	        1rx5     occluded 	closed
       56 	E*ddTHF*NH 	                E*THF*NH 	1rx6     occluded 	open

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