Iodine in PDB 6rzm: Galectin-3C in Complex with Trifluoroaryltriazole Monothiogalactoside Derivative:5(Iodine)

The structure of Galectin-3C in Complex with Trifluoroaryltriazole Monothiogalactoside Derivative:5(Iodine), PDB code: 6rzm was solved by R.Kumar, M.L.Verteramo, U.J.Nilsson, D.T.Logan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.62 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.070, 57.238, 61.655, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 18.8

The structure of Galectin-3C in Complex with Trifluoroaryltriazole Monothiogalactoside Derivative:5(Iodine) also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Chlorine	(Cl)	1 atom

The binding sites of Iodine atom in the Galectin-3C in Complex with Trifluoroaryltriazole Monothiogalactoside Derivative:5(Iodine) (pdb code 6rzm). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Galectin-3C in Complex with Trifluoroaryltriazole Monothiogalactoside Derivative:5(Iodine), PDB code: 6rzm:

Iodine binding site 1 out of 1 in the Galectin-3C in Complex with Trifluoroaryltriazole Monothiogalactoside Derivative:5(Iodine)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Galectin-3C in Complex with Trifluoroaryltriazole Monothiogalactoside Derivative:5(Iodine) within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:26.8 occ:1.00 I1 A:KON301 0.0 26.8 1.0 C4 A:KON301 2.1 28.0 1.0 C5 A:KON301 3.0 25.0 1.0 C1 A:KON301 3.0 29.1 1.0 HG3 A:GLU184 3.2 25.2 1.0 O A:GLY182 3.2 20.1 1.0 HD21 A:ASN174 3.3 20.2 1.0 HB3 A:TRP181 3.6 23.0 1.0 HD22 A:ASN174 3.8 20.2 1.0 HB2 A:TRP181 3.8 23.0 1.0 ND2 A:ASN174 3.9 16.8 1.0 O2 A:KON301 3.9 18.6 1.0 CG A:GLU184 4.1 21.0 1.0 OE2 A:GLU184 4.1 21.5 1.0 CB A:TRP181 4.2 19.1 1.0 O A:HOH504 4.3 35.3 1.0 CD A:GLU184 4.3 21.4 1.0 C6 A:KON301 4.3 24.8 1.0 C2 A:KON301 4.3 28.5 1.0 HG2 A:GLU184 4.4 25.2 1.0 C A:GLY182 4.5 19.8 1.0 O A:HOH548 4.5 49.0 1.0 H A:GLU184 4.6 21.7 1.0 HA A:ARG183 4.7 24.4 1.0 C A:TRP181 4.8 19.6 1.0 O A:TRP181 4.8 21.0 1.0 C3 A:KON301 4.9 27.5 1.0

M.L.Verteramo, F.Zetterberg, R.Kumar, J.Wallerstein, M.M.Ignjatovic, H.Leffler, U.Ryde, D.T.Logan, M.Akke, U.J.Nilsson. Thermodynamic Studies of Halogen-Bond Interactions in Galectin-3 To Be Published.