Minimum-energy conformation of different tropocollagen models calculated for poly(Gly-Pro-Pro) by considering helical constraints.

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概要

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• The minimum conformational energies for three helical models of tropocollagen were calculated by using energy functions and values of parameters obtained by Momany <I>et al..</I> Three types of helical models containing 7/1, 10/1, and 12/1 helices were employed. Among the models with the 7/1 helix, only the conformation having the N(Gly<SUB>1</SUB>)···O(Pro<SUB>2</SUB>) type hydrogen bond was found to be energetically stable. Thus all the three helical models had the same type of hydrogen bond. The minimum-energy conformation of the 7/1 helix model was found to be more stable than those of the other two models by about 7 kcal/mol per tripeptide unit. This difference mainly came from the non-bonded energy terms of both intra- and inter-chains. Since the conformation of the 7/1 helix model was widely spread in the conformational space compared with those of the other models, it was concluded that the unit twist of the 7/1 helix model is well suited for peptide chains to conform a triplehelical structure. The above results strongly supported the 7/1 helix model for tropocollagen.

• 公益社団法人 日本化学会の論文

著者

• Okuyama Kenji

  Department Of Biotechnology Tokyo University Of Agriculture And Technology

• Takayanagi Motowo

  Department of Applied Chemistry, Faculty of Engineering, Kyushu University 36

• Nakaya Ikuo

  Department of Applied Chemistry, Faculty of Engineering, Kyushu University 36

• Eto Haruaki

  Department of Applied Chemistry, Faculty of Engineering, Kyushu University 36

関連論文

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• Structure Analysis of a Collagen-Model Peptide with a ( Pro-Hyp-Gly ) Sequence Repeat
• Crystal Structure Analysis of Collagen Model Peptide (Pro-Pro-Gly)_
• Threonine in Collagen Triple-helical Structure
• Phase transition behavior and membrane structure of monoalkyl amphiphiles.
• Minimum-energy conformation of different tropocollagen models calculated for poly(Gly-Pro-Pro) by considering helical constraints.

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