Chlorine 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
Iodine	(I)	1 atom

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Galectin-3C in Complex with Trifluoroaryltriazole Monothiogalactoside Derivative:5(Iodine), PDB code: 6rzm:

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl303 b:32.1 occ:1.00 HD21 A:ASN160 2.8 19.5 1.0 HG2 A:ARG162 3.2 19.7 1.0 OD1 A:ASN160 3.3 16.1 1.0 HE A:ARG162 3.3 22.2 1.0 HD2 A:ARG144 3.4 30.4 1.0 HB2 A:ARG144 3.6 24.0 1.0 ND2 A:ASN160 3.6 16.3 1.0 NE A:ARG162 3.7 18.5 1.0 HB3 A:ARG144 3.7 24.0 1.0 C19 A:KON301 3.8 18.6 1.0 CG A:ASN160 3.8 15.5 1.0 C12 A:KON301 3.9 20.0 1.0 HD3 A:ARG144 4.0 30.4 1.0 HH11 A:ARG144 4.0 41.6 1.0 CB A:ARG144 4.1 20.0 1.0 CD A:ARG144 4.1 25.4 1.0 CG A:ARG162 4.1 16.4 1.0 HH21 A:ARG162 4.1 24.6 1.0 HD3 A:ARG162 4.2 20.5 1.0 CD A:ARG162 4.2 17.1 1.0 HD22 A:ASN160 4.3 19.5 1.0 CZ A:ARG162 4.3 19.6 1.0 NH2 A:ARG162 4.5 20.5 1.0 C14 A:KON301 4.5 18.9 1.0 HG3 A:ARG162 4.5 19.7 1.0 C13 A:KON301 4.5 19.9 1.0 C18 A:KON301 4.5 19.8 1.0 F2 A:KON301 4.5 20.6 1.0 CG A:ARG144 4.7 22.6 1.0 O3 A:KON301 4.7 17.1 1.0 O A:HOH524 4.8 40.7 1.0 NH1 A:ARG144 4.8 34.6 1.0 C20 A:KON301 4.9 21.7 1.0 N1 A:KON301 4.9 20.1 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.