Loop-driven conformational transition between the alternative and collapsed form of prethrombin-2: targeted molecular dynamics study.
作者： Sangwook Wu
DOI: 10.1080/07391102.2015.1134347
关键词:
摘要: Two distinct crystal structures of prethrombin-2, the alternative and collapsed forms, are elucidated by X-ray crystallogrphy. We analyzed conformational transition from to form employing targeted molecular dynamics (TMD) simulation. Despite small RMSD difference in two structures, some hydrophobic residues (W60d, W148, W215, F227) show a significant between conformations. TMD simulation shows that four undergo concerted movement dimer trimer via tetramer state change form. reveal is controlled specific loop regions behind. In this paper, we propose sequential scenario for form, which partially supported mutant W148A
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