4IDW

Polycrystalline T6 Bovine Insulin: Anisotropic Lattice Evolution and Novel Structure Refinement Strategy

4IDW の概要

• エントリーDOI: 10.2210/pdb4idw/pdb
• 分子名称: Insulin A chain, Insulin B chain, ZINC ION, ... (4 entities in total)
• 機能のキーワード: hormone, insulin family, carbohydrate metabolism, hormone-growth, t6 bovine insulin
• 由来する生物種: Bos taurus (Bovine); 詳細
• 細胞内の位置: Secreted: P01317 P01317
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 11617.96

構造登録者

Margiolaki, I.,Giannopoulou, A.E.,Wright, J.P.,Knight, L.,Norrman, M.,Schluckebier, G.,Fitch, A.,Von Dreele, R.B. (登録日: 2012-12-13, 公開日: 2013-06-05, 最終更新日: 2024-10-30)

主引用文献

Margiolaki, I.,Giannopoulou, A.E.,Wright, J.P.,Knight, L.,Norrman, M.,Schluckebier, G.,Fitch, A.N.,Von Dreele, R.B.
High-resolution powder X-ray data reveal the T6 hexameric form of bovine insulin
Acta Crystallogr.,Sect.D, 69:978-990, 2013

PubMed Abstract: A series of bovine insulin samples were obtained as 14 polycrystalline precipitates at room temperature in the pH range 5.0-7.6. High-resolution powder X-ray diffraction data were collected to reveal the T6 hexameric insulin form. Sample homogeneity and reproducibility were verified by additional synchrotron measurements using an area detector. Pawley analyses of the powder patterns displayed pH- and radiation-induced anisotropic lattice modifications. The pronounced anisotropic lattice variations observed for T6 insulin were exploited in a 14-data-set Rietveld refinement to obtain an average crystal structure over the pH range investigated. Only the protein atoms of the known structure with PDB code 2a3g were employed in our starting model. A novel approach for refining protein structures using powder diffraction data is presented. In this approach, each amino acid is represented by a flexible rigid body (FRB). The FRB model requires a significantly smaller number of refinable parameters and restraints than a fully free-atom refinement. A total of 1542 stereochemical restraints were imposed in order to refine the positions of 800 protein atoms, two Zn atoms and 44 water molecules in the asymmetric unit using experimental data in the resolution range 18.2-2.7 Å for all profiles.

PubMed: 23695242
DOI: 10.1107/S0907444913003867

実験手法

POWDER DIFFRACTION