Chlorine in PDB 8rdc: Galectin-1 in Complex with Thiogalactoside Derivative

The structure of Galectin-1 in Complex with Thiogalactoside Derivative, PDB code: 8rdc was solved by M.Hakansson, C.Diehl, K.Peterson, F.Zetterberg, U.Nilsson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.82 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.995, 70.035, 99.508, 90, 90, 90
R / Rfree (%)	17.2 / 20

The structure of Galectin-1 in Complex with Thiogalactoside Derivative also contains other interesting chemical elements:

Bromine

(Br)

2 atoms

The binding sites of Chlorine atom in the Galectin-1 in Complex with Thiogalactoside Derivative (pdb code 8rdc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Galectin-1 in Complex with Thiogalactoside Derivative, PDB code: 8rdc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Galectin-1 in Complex with Thiogalactoside Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Galectin-1 in Complex with Thiogalactoside Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:29.8 occ:1.00 CL29 A:YNO601 0.0 29.8 1.0 C19 A:YNO601 1.7 27.8 1.0 N18 A:YNO601 2.6 25.7 1.0 C20 A:YNO601 2.7 28.6 1.0 OG A:SER29 3.2 26.4 1.0 CA A:GLY124 3.5 24.8 1.0 O A:HOH748 3.5 25.4 1.0 O A:HOH779 3.7 52.3 1.0 C14 A:YNO601 3.8 26.3 1.0 O A:SER29 3.8 23.4 1.0 O A:HOH791 3.9 47.0 1.0 N A:GLY124 4.0 23.3 1.0 CG2 A:VAL31 4.0 21.9 1.0 C A:SER29 4.1 22.8 1.0 CA A:PHE30 4.1 21.8 1.0 S21 A:YNO601 4.2 30.2 1.0 N A:PHE30 4.3 22.4 1.0 CB A:SER29 4.3 25.2 1.0 O A:HOH732 4.3 41.4 1.0 C A:ASP123 4.4 22.7 1.0 C A:PHE30 4.5 21.1 1.0 O A:ASP123 4.6 21.5 1.0 N A:VAL31 4.7 20.4 1.0 C A:GLY124 4.7 24.4 1.0 CA A:SER29 4.8 23.4 1.0 O A:HOH702 4.9 45.7 1.0 N A:ASP125 4.9 23.1 1.0 CB A:VAL31 5.0 22.3 1.0

Chlorine binding site 2 out of 2 in the Galectin-1 in Complex with Thiogalactoside Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Galectin-1 in Complex with Thiogalactoside Derivative within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:36.1 occ:1.00 CL29 B:YNO601 0.0 36.1 1.0 C19 B:YNO601 1.7 32.9 1.0 N18 B:YNO601 2.6 29.0 1.0 C20 B:YNO601 2.7 31.9 1.0 OG B:SER29 3.1 35.0 1.0 CA B:GLY124 3.4 29.4 1.0 O B:HOH732 3.5 33.8 1.0 O B:SER29 3.7 29.0 1.0 C14 B:YNO601 3.7 29.8 1.0 C B:SER29 3.9 29.3 1.0 N B:GLY124 4.0 29.5 1.0 CA B:PHE30 4.1 28.4 1.0 S21 B:YNO601 4.2 32.7 1.0 N B:PHE30 4.2 27.9 1.0 CG2 B:VAL31 4.2 28.3 1.0 CB B:SER29 4.3 32.2 1.0 C B:ASP123 4.5 28.3 1.0 O B:ASP123 4.5 27.8 1.0 C B:PHE30 4.5 27.6 1.0 CA B:SER29 4.7 31.0 1.0 C B:GLY124 4.7 31.1 1.0 N B:VAL31 4.8 26.5 1.0 N B:ASP125 4.8 32.0 1.0 ND2 B:ASN46 5.0 27.9 1.0

M.Hakansson, C.Diehl, K.Petersn, U.Nilsson. Galectin-1 in Complex with Thiogalactoside Derivative To Be Published.