Chlorine in PDB 6tf6: Human Galectin-3C in Complex with A Galactose Derivative

The structure of Human Galectin-3C in Complex with A Galactose Derivative, PDB code: 6tf6 was solved by U.J.Nilsson, F.Zetterberg, M.Hakansson, D.T.Logan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.02 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.850, 57.340, 62.040, 90.00, 90.00, 90.00
R / Rfree (%)	11.7 / 17.4

The structure of Human Galectin-3C in Complex with A Galactose Derivative also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Human Galectin-3C in Complex with A Galactose Derivative (pdb code 6tf6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Galectin-3C in Complex with A Galactose Derivative, PDB code: 6tf6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Galectin-3C in Complex with A Galactose Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Galectin-3C in Complex with A Galactose Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl3001 b:21.5 occ:1.00 O A:HOH3240 3.0 17.8 1.0 N A:LYS226 3.2 10.6 1.0 O A:HOH3208 3.3 23.6 1.0 N A:LYS227 3.6 10.4 1.0 CG A:LYS227 3.7 9.9 1.0 CD A:LYS227 3.9 11.4 1.0 CB A:LYS226 3.9 11.7 0.5 CG1 A:VAL225 4.0 11.3 1.0 CA A:LYS226 4.0 10.4 1.0 CB A:LYS227 4.0 8.4 1.0 C A:VAL225 4.1 8.7 1.0 CA A:VAL225 4.1 9.2 1.0 C A:LYS226 4.3 9.7 1.0 NH1 A:ARG151 4.3 12.6 1.0 CG A:LYS226 4.3 10.8 0.5 CB A:LYS226 4.4 13.4 0.5 CA A:LYS227 4.4 9.5 1.0 CE A:LYS227 4.4 13.2 1.0 O A:HOH3134 4.6 13.2 1.0 CZ A:ARG151 4.6 10.3 1.0 CB A:VAL225 4.6 9.4 1.0 O A:HOH3163 4.7 23.2 1.0 NE A:ARG151 4.8 9.8 1.0 CD A:ARG151 5.0 9.4 1.0

Chlorine binding site 2 out of 2 in the Human Galectin-3C in Complex with A Galactose Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Galectin-3C in Complex with A Galactose Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl3002 b:38.9 occ:1.00 O A:HOH3232 2.9 41.0 1.0 O A:HOH3168 3.0 44.4 1.0 N A:TYR247 3.2 12.3 1.0 O A:TYR247 3.4 13.1 1.0 CB A:SER246 3.6 16.9 1.0 CA A:SER246 3.6 10.6 1.0 C A:SER246 3.9 9.1 1.0 CE1 A:TYR247 4.0 10.2 1.0 CD1 A:TYR247 4.0 13.4 1.0 CG A:TYR247 4.0 10.6 1.0 CZ A:TYR247 4.1 11.0 1.0 CD2 A:TYR247 4.1 13.1 1.0 CE2 A:TYR247 4.2 12.1 1.0 CA A:TYR247 4.2 9.5 1.0 C A:TYR247 4.2 10.7 1.0 O A:HOH3199 4.5 35.3 1.0 OG A:SER246 4.7 17.9 1.0 CB A:TYR247 4.7 13.0 1.0 OH A:TYR247 4.7 16.2 1.0 O A:ALA245 5.0 15.7 1.0

A.Dahlqvist, S.Mandal, K.Peterson, M.Hakansson, D.T.Logan, F.Zetterberg, H.Leffler, U.J.Nilsson. Human Galectin-3C in Complex with A Galactose Derivative To Be Published.