1JW6

Crystal Structure of the Complex of Concanavalin A and Hexapeptide

1JW6 の概要

• エントリーDOI: 10.2210/pdb1jw6/pdb
• 関連するPDBエントリー: 1HQW
• 分子名称: Concanavalin A, PROTEIN (6-MER), MANGANESE (II) ION, ... (7 entities in total)
• 機能のキーワード: complex with hexapeptide, sugar binding protein
• 由来する生物種: Canavalia ensiformis (Jack bean); 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 26799.67

構造登録者

Zhang, Z.,Qian, M.,Huang, Q.,Jia, Y.,Tang, Y. (登録日: 2001-09-02, 公開日: 2001-09-26, 最終更新日: 2023-10-25)

主引用文献

Zhang, Z.,Qian, M.,Huang, Q.,Jia, Y.,Tang, Y.,Wang, K.,Cui, D.,Li, M.
Crystal structure of the complex of concanavalin A and hexapeptide.
J.Protein Chem., 20:423-429, 2001

PubMed Abstract: The X-ray structure analysis of a cross-linked crystal of concanavalin A soaked with a hexapeptide molecule as a probe molecule showed an electron density corresponding to full occupation in the binding pocket. The site lies on the surface of concanavalin A and is surrounded by three symmetry-related molecules. The crystal structure of the hexapeptide complex was refined at 1.93-A resolution, to an R-factor of 19% (Rfree factor of 25%), with an RMS deviation in bond distances of 0.01 A. The model includes all 237 residues of concanavalin A, one manganese ion, one calcium ion, 95 water molecules, one glutaraldehyde molecule, one isopropanol molecule, and one hexapeptide molecule. This X-ray structure analysis also provides an approach to mapping the binding surface of crystalline protein with a probe molecule that is dissolved in the mixture of organic solvent with water or in neat organic solvent but is hardly dissolved in aqueous solution.

PubMed: 11732694
DOI: 10.1023/A:1012289022412

実験手法

X-RAY DIFFRACTION (1.93 Å)