1JW6

Crystal Structure of the Complex of Concanavalin A and Hexapeptide

Summary for 1JW6

• Entry DOI: 10.2210/pdb1jw6/pdb
• Related: 1HQW
• Descriptor: Concanavalin A, PROTEIN (6-MER), MANGANESE (II) ION, ... (7 entities in total)
• Functional Keywords: complex with hexapeptide, sugar binding protein
• Biological source: Canavalia ensiformis (Jack bean); More
• Total number of polymer chains: 2
• Total formula weight: 26799.67

Authors

Zhang, Z.,Qian, M.,Huang, Q.,Jia, Y.,Tang, Y. (deposition date: 2001-09-02, release date: 2001-09-26, Last modification date: 2023-10-25)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (1.93 Å)