Molecular evidence of stereo-specific lactoferrin dimers in solution

TY - JOUR

T1 - Molecular evidence of stereo-specific lactoferrin dimers in solution

AU - Persson, Björn A.

AU - Lund, Mikael

AU - Forsman, Jan

AU - Chatterton, Dereck Edward Winston

AU - Åkesson, Torbjörn

PY - 2010/10

Y1 - 2010/10

N2 - Gathering experimental evidence suggests that bovine as well as human lactoferrin self-associate in aqueous solution. Still, a molecular level explanation is unavailable. Using force field based molecular modeling of the protein-protein interaction free energy we demonstrate (1) that lactoferrin forms highly stereo-specific dimers at neutral pH and (2) that the self-association is driven by a high charge complementarity across the contact surface of the proteins. Our theoretical predictions of dimer formation are verified by electrophoretic mobility and N-terminal sequence analysis on bovine lactoferrin.

AB - Gathering experimental evidence suggests that bovine as well as human lactoferrin self-associate in aqueous solution. Still, a molecular level explanation is unavailable. Using force field based molecular modeling of the protein-protein interaction free energy we demonstrate (1) that lactoferrin forms highly stereo-specific dimers at neutral pH and (2) that the self-association is driven by a high charge complementarity across the contact surface of the proteins. Our theoretical predictions of dimer formation are verified by electrophoretic mobility and N-terminal sequence analysis on bovine lactoferrin.

U2 - 10.1016/j.bpc.2010.06.005

DO - 10.1016/j.bpc.2010.06.005

M3 - Journal article

C2 - 20674143

SN - 0301-4622

VL - 151

SP - 187

EP - 189

JO - Biophysical Chemistry

JF - Biophysical Chemistry

IS - 3

ER -