This directory contains structural models described 
in the two references below.

In the PDB format atom entries we follow the following
naming convention for the X-PLOR style segment IDs:

	ACT = actin
	ATP = Adenosine triphosphate
	MG  = Mg2+ ion
	HOH = water molecules

Some water molecules evaporated during simulation.
The files contain slightly fewer water molecules 
than described in the manuscripts (only water 
molecules adjacent to actin are included).

The models correspond to the following figure
captions in the manuscript:

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H73HMS.pdb       [1] Fig. 7A
H73HSD.pdb       [1] Fig. 7B
H73HSP.pdb       [1] Fig. 7C  [2] Fig. 9B
H73HSE.pdb       [1] Fig. 7D  [2] Fig. 9A
H73R.pdb         [1] Fig. 7E
H73E.pdb         [1] Fig. 7F
H73HSE_D179R.pdb              [2] Fig. 9C
H73HSE_D179N.pdb              [2] Fig. 9D
H73E_D184R.pdb                [2] Fig. 9E
H73E_D179R.pdb                [2] Fig. 9F
OH73HMS.pdb                   [2] Fig. 10A
OH73HSE.pdb                   [2] Fig. 10B
OH73HSP.pdb                   [2] Fig. 10C
OH73E_D179R.pdb               [2] Fig. 10D

-----------------------------------------

References:

[1] Xiaoyi Yao, Stephanie Grade, Willy Wriggers, 
and Peter Rubenstein. His73, Often Methylated, Is 
an Important Structural Determinant for Actin - 
A Mutagenic Analysis of H73 of Yeast Actin. 
J. Biol. Chem., 1999, Vol. 274, pp. 37443-37449. 

[2] Xiaoyi Yao, Vinh Nguyen, Willy Wriggers, 
and Peter Rubenstein. Regulation of Yeast Actin 
Behavior by Interaction of Charged Residues 
Across the Interdomain Cleft. 
J. Biol. Chem., 2002, In Press. 

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Questions / feedback: Please contact 
Willy Wriggers (wriggers "at" biomachina.org)

Last update 04/12/02