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De Novo Folding of the DNA‐Binding ATF‐2 Zinc Finger Motif in an All‐Atom Free‐Energy Forcefield
Author(s) -
Gopal Srinivasa M.,
Wenzel Wolfgang
Publication year - 2006
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200603415
Subject(s) - zinc finger , protein data bank (rcsb pdb) , lim domain , chemistry , crystallography , biophysics , protein folding , dna , folding (dsp implementation) , zinc , biochemistry , gene , biology , transcription factor , organic chemistry , electrical engineering , engineering
Finger formation : Predictive all‐atom folding of a DNA‐binding αββ‐zinc‐finger motif in a free‐energy forcefield has been demonstrated. The three models (shown in different shades of blue in the picture) show the lowest energy structures found in the simulation. The low‐energy region of the free‐energy surface and important steps of the folding pathway have been analyzed to help elucidate zinc‐finger formation and function.