Icad
Saturation transfer experiments were performed for the (2)H- and (15)N-labeled
mouse CAD domain of the caspase-activated deoxyribonuclease and the CAD domain
of its inhibitor to reveal the protein-protein complexed conformation. Based on
the physical model for the spin diffusion, a novel method was developed to
reconstruct the complexed structure using the simulated annealing calculation.
The complementarity in the molecular surface shape and the electrostatic
potential distribution provide a good measure for the assessment of the
putative complexed conformation, despite much less experimental information
than the conventional distance geometry calculation. Copyright 2004 John Wiley
& Sons, Ltd.
PMID: 14872536 [PubMed - in process]