Magnesium in PDB 8iu1: Crystal Structure of Mouse Galectin-3 in Complex with Small Molecule Inhibitor

The structure of Crystal Structure of Mouse Galectin-3 in Complex with Small Molecule Inhibitor, PDB code: 8iu1 was solved by S.Jinal, K.Amit, K.Ghosh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.00 / 1.97
Space group	I 21 3
Cell size a, b, c (Å), α, β, γ (°)	110.67, 110.67, 110.67, 90, 90, 90
R / Rfree (%)	17.3 / 21.5

The structure of Crystal Structure of Mouse Galectin-3 in Complex with Small Molecule Inhibitor also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Mouse Galectin-3 in Complex with Small Molecule Inhibitor (pdb code 8iu1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Mouse Galectin-3 in Complex with Small Molecule Inhibitor, PDB code: 8iu1:

Magnesium binding site 1 out of 1 in the Crystal Structure of Mouse Galectin-3 in Complex with Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Mouse Galectin-3 in Complex with Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:56.5 occ:0.33 O A:HOH498 2.8 47.5 0.3 O A:HOH426 2.8 45.9 1.0 CB A:ALA230 3.8 42.5 1.0 O A:HOH474 3.9 51.9 0.3 O A:HIS231 4.0 49.9 1.0 N A:HIS231 4.4 44.1 1.0 CA A:ALA230 4.5 44.0 1.0 O A:HOH468 4.7 55.5 1.0 C A:ALA230 4.8 48.4 1.0 C A:HIS231 5.0 48.1 1.0

J.J.Swidorski, B.B.Beno, C.Liu, D.Yoon, K.Ghosh, H.Sale, D.Shah, K.Acharya, J.Yanchunas, B.Ellsworth, D.Cheng, A.Regueiro-Ren. Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis To Be Published.