Brownian dynamics simulations of lactate dehydrogenase isoforms with actin

COMP 332

Eric Njankwa Njabon, Kristine L. Carlson, kristine.carlson@und.nodak.edu, and Kathryn A. Thomasson, kthomasson@chem.und.edu. Department of Chemistry, University of North Dakota, Grand Forks, ND 58202-9024
Glycolytic enzymes may compartment in cells by binding to cytoskeletal structures. One potentially important step in compartmentation is binding of the cytoskeletal protein F-actin with lactate dehydrogenase (LDH). Tetrameric LDH can have different isoforms of muscle (M) or heart (H) monomers. Brownian dynamics simulations explore the interactions of human and rabbit mixed LDH isoforms with F-actin. The LDH mixed tetrameric isoforms, LDH-M_3 H, LDH-M_2 H_2 , LDH-MH_3 , give distinctive electrostatic potentials and charges. If the positive electrostatic potential region between subunits A/D and subunits B/C, remains intact (such as in M_3 H) the mixed isoforms bind F-actin.
 

Poster Session
6:00 PM-8:00 PM, Tuesday, August 21, 2007 BCEC -- Ballroom Foyer, Poster

Sci-Mix
8:00 PM-10:00 PM, Monday, August 20, 2007 BCEC -- Exhibit Hall - B2, Sci-Mix

Division of Computers in Chemistry

The 234th ACS National Meeting, Boston, MA, August 19-23, 2007