Bromine in PDB 6rzl: Galectin-3C in Complex with Trifluoroaryltriazole Monothiogalactoside Derivative:4(Bromine)

The structure of Galectin-3C in Complex with Trifluoroaryltriazole Monothiogalactoside Derivative:4(Bromine), PDB code: 6rzl 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)	28.82 / 1.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.571, 57.637, 62.851, 90.00, 90.00, 90.00
R / Rfree (%)	13.4 / 15.4

The structure of Galectin-3C in Complex with Trifluoroaryltriazole Monothiogalactoside Derivative:4(Bromine) also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Bromine atom in the Galectin-3C in Complex with Trifluoroaryltriazole Monothiogalactoside Derivative:4(Bromine) (pdb code 6rzl). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Galectin-3C in Complex with Trifluoroaryltriazole Monothiogalactoside Derivative:4(Bromine), PDB code: 6rzl:

Bromine binding site 1 out of 1 in the Galectin-3C in Complex with Trifluoroaryltriazole Monothiogalactoside Derivative:4(Bromine)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Galectin-3C in Complex with Trifluoroaryltriazole Monothiogalactoside Derivative:4(Bromine) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:19.1 occ:1.00 BR1 A:KOE301 0.0 19.1 1.0 C4 A:KOE301 1.9 17.7 1.0 C5 A:KOE301 2.8 18.0 1.0 C1 A:KOE301 2.8 19.9 1.0 H51 A:KOE301 2.9 21.6 1.0 H11 A:KOE301 2.9 23.9 1.0 HG3 A:GLU184 3.0 18.8 1.0 O A:GLY182 3.1 15.9 1.0 HD21 A:ASN174 3.1 16.6 1.0 H22 A:KOE301 3.3 18.0 1.0 HB3 A:TRP181 3.4 18.7 1.0 HD22 A:ASN174 3.6 16.6 1.0 HB2 A:TRP181 3.6 18.7 1.0 O A:HOH528 3.7 36.4 1.0 ND2 A:ASN174 3.7 13.9 1.0 O2 A:KOE301 3.8 15.0 1.0 CG A:GLU184 3.9 15.7 1.0 CB A:TRP181 3.9 15.6 1.0 O A:HOH565 4.0 49.6 1.0 OE2 A:GLU184 4.0 16.1 1.0 C6 A:KOE301 4.1 18.5 1.0 HG2 A:GLU184 4.1 18.8 1.0 C2 A:KOE301 4.1 20.5 1.0 CD A:GLU184 4.1 14.4 1.0 O A:HOH512 4.2 22.2 1.0 C A:GLY182 4.3 15.2 1.0 H A:GLU184 4.4 18.9 1.0 O A:TRP181 4.5 17.9 1.0 C A:TRP181 4.5 16.1 1.0 C3 A:KOE301 4.6 19.9 1.0 HA A:ARG183 4.7 19.4 1.0 N A:GLY182 4.8 15.0 1.0 N A:GLU184 4.8 15.7 1.0 H21 A:KOE301 4.8 24.6 1.0 CA A:TRP181 4.9 15.4 1.0 CG A:TRP181 4.9 15.2 1.0 CG A:ASN174 5.0 12.7 1.0 OE1 A:GLU184 5.0 17.7 1.0 O A:HOH421 5.0 34.0 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.