6PTI

STRUCTURE OF FORM III CRYSTALS OF BOVINE PANCREATIC TRYPSIN INHIBITOR

6PTI の概要

• エントリーDOI: 10.2210/pdb6pti/pdb
• 分子名称: PANCREATIC TRYPSIN INHIBITOR PRECURSOR, PHOSPHATE ION (3 entities in total)
• 機能のキーワード: proteinase inhibitor (trypsin)
• 由来する生物種: Bos taurus (cattle)
• 細胞内の位置: Secreted: P00974
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 6622.54

構造登録者

Wlodawer, A. (登録日: 1987-05-13, 公開日: 1987-10-16, 最終更新日: 2024-10-23)

主引用文献

Wlodawer, A.,Nachman, J.,Gilliland, G.L.,Gallagher, W.,Woodward, C.
Structure of form III crystals of bovine pancreatic trypsin inhibitor.
J.Mol.Biol., 198:469-480, 1987

PubMed Abstract: The structure of bovine pancreatic trypsin inhibitor has been solved in a new crystal form III. The crystals belong to space group P2(1)2(1)2 with a = 55.2 A, b = 38.2 A, c = 24.05 A. The structure was solved on the basis of co-ordinates of forms I and II of the inhibitor by molecular replacement, and the X-ray data extending to 1.7 A were used in a restrained least-squares refinement. The final R factor was 0.16, and the deviation of bonded distances from ideality was 0.020 A. Root-mean-square discrepancy between C alpha co-ordinates of forms III and I are 0.47 A, whilst between forms II and III the discrepancy is 0.39 A. These deviations are about a factor of 3 larger than the expected experimental errors, showing that true differences exist between the three crystal forms. Two residues (Arg39 and Asp50) were modeled with two positions for their side-chains. The final model includes 73 water molecules and one phosphate group bound to the protein. Sixteen water molecules occupy approximately the same positions in all three crystal forms studied to date, indicating their close association with the protein molecule. Temperature factors also show a high degree of correlation between the three crystal forms.

PubMed: 2448484
DOI: 10.1016/0022-2836(87)90294-4

実験手法

X-RAY DIFFRACTION (1.7 Å)