3A08

Structure of (PPG)4-OOG-(PPG)4, monoclinic, twinned crystal

3A08 の概要

• エントリーDOI: 10.2210/pdb3a08/pdb
• 関連するPDBエントリー: 1X1K 2CUO 2D3F 2D3H
• 分子名称: collagen-like peptide (2 entities in total)
• 機能のキーワード: collagen helix, host-guest peptide, structural protein
• タンパク質・核酸の鎖数: 6
• 化学式量合計: 13869.28

構造登録者

Okuyama, K.,Morimoto, T.,Wu, G.,Noguchi, K.,Mizuno, K.,Bachinger, H.P. (登録日: 2009-03-06, 公開日: 2010-01-12, 最終更新日: 2023-11-01)

主引用文献

Okuyama, K.,Morimoto, T.,Narita, H.,Kawaguchi, T.,Mizuno, K.,Bachinger, H.P.,Wu, G.,Noguchi, K.
Two crystal modifications of (Pro-Pro-Gly)4-Hyp-Hyp-Gly-(Pro-Pro-Gly)4 reveal the puckering preference of Hyp(X) in the Hyp(X):Hyp(Y) and Hyp(X):Pro(Y) stacking pairs in collagen helices.
Acta Crystallogr.,Sect.D, 66:88-96, 2010

PubMed Abstract: Two crystal modifications of a collagen model peptide, (Pro-Pro-Gly)(4)-Hyp-Hyp-Gly-(Pro-Pro-Gly)(4) [where Hyp is (4R,2S)-L-hydroxyproline], showed very similar unit-cell parameters and belonged to the same space group P2(1). Both crystals exhibited pseudo-merohedral twinning. The main difference was in their molecular-packing arrangements. One modification showed pseudo-hexagonal packing, while the other showed pseudo-tetragonal packing. Despite their different packing arrangements, no significant differences were observed in the hydration states of these modifications. The peptide in the pseudo-tetragonal crystal showed a cyclic fluctuation of helical twists with a period of 20 A, while that in the pseudo-hexagonal crystal did not. In these modifications, the puckering conformations of four of the 12 Hyp residues at the X position of the Hyp(X)-Hyp(Y)-Gly sequence were in the opposite conformations to the previous hypothesis that Hyp(X) residues involved in Hyp(X):Hyp(Y) and Hyp(X):Pro(Y) stacking pairs prefer up-puckering and down-puckering conformations, respectively. Detailed investigation of the molecular interactions between Hyp(X) and adjacent molecules revealed that these opposite conformations appeared because the puckering conformation, which follows the hypothesis, is subject to steric hindrance from the adjacent molecule.

PubMed: 20057053
DOI: 10.1107/S0907444909046642

実験手法

X-RAY DIFFRACTION (1.22 Å)