Abstract:
Actin is also known as Alpha-actin-3, Gamma-2-actin or smooth muscle gamma-actin. Actin is the most abundant protein in most eukaryotic cells. Actin is involved in various types of cell motility and are ubiquitously expressed in all eukaryotic cells. Comparative modelling, threading and ab initio approaches were used to predict the 3D structures of actin followed by the verification of predicted structures through ERRAT, ProSa-web, Rampage and Anolea. 78 different structures were predicted for the selected protein. The suitable 3D structure of actin showed 90.38468% overall quality factor. Interestingly, it was observed that only 0.3% residues were present in outlier region. Moreover, 94.5% residues of the predicted structure were present in favored region and 4.6% in allowed region having -10.06 Z-score. Comparative molecular docking were performed and the attempt was to identify the ligands for actin. It was observed that the selected compounds showed least binding energy of -7.7 Kcal/mol. The determination of protein function is based on accurate identification of binding sites in protein structures.
Page(s):
111-111
DOI:
DOI not available
Published:
Journal: Abstract Book on Global Science Technology and Management Conference, Volume: 0, Issue: 0, Year: 2023