Bromine 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:

Chlorine

(Cl)

2 atoms

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

Bromine 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 Bromine with other atoms in the Br binding site number 1 of Galectin-1 in Complex with Thiogalactoside Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Br601 b:28.5 occ:1.00 BR28 A:YNO601 0.0 28.5 1.0 C26 A:YNO601 1.9 26.6 1.0 C25 A:YNO601 2.8 27.7 1.0 C27 A:YNO601 2.8 25.3 1.0 O A:GLY69 3.2 24.1 1.0 O A:HOH767 3.5 41.9 1.0 ND2 A:ASN61 3.6 22.3 1.0 CB A:TRP68 3.8 24.6 1.0 O A:HOH806 3.9 48.6 1.0 O A:HOH775 3.9 28.8 1.0 O1 A:YNO601 4.0 22.8 1.0 CG A:GLU71 4.1 24.5 1.0 N24 A:YNO601 4.1 28.0 1.0 C22 A:YNO601 4.1 25.9 1.0 OE2 A:GLU71 4.3 26.5 1.0 CD A:GLU71 4.4 26.9 1.0 C A:GLY69 4.4 23.2 1.0 C23 A:YNO601 4.6 27.5 1.0 CG A:TRP68 4.6 25.1 1.0 O A:HOH753 4.7 46.4 1.0 N A:GLU71 4.8 23.5 1.0 O A:TRP68 4.8 25.2 1.0 C A:TRP68 4.8 25.3 1.0 CG A:ASN61 4.9 22.2 1.0 CA A:TRP68 5.0 24.8 1.0 CD1 A:TRP68 5.0 26.0 1.0

Bromine 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 Bromine with other atoms in the Br binding site number 2 of Galectin-1 in Complex with Thiogalactoside Derivative within 5.0Å range: probe atom residue distance (Å) B Occ B:Br601 b:34.5 occ:1.00 BR28 B:YNO601 0.0 34.5 1.0 C26 B:YNO601 1.9 30.6 1.0 C27 B:YNO601 2.8 28.4 1.0 C25 B:YNO601 2.9 29.9 1.0 O B:GLY69 3.4 28.4 1.0 O B:HOH757 3.7 52.8 1.0 ND2 B:ASN61 3.8 25.8 1.0 CB B:TRP68 3.9 26.6 1.0 O B:HOH751 3.9 35.0 1.0 O1 B:YNO601 4.1 27.3 1.0 CG B:GLU71 4.1 30.8 1.0 N24 B:YNO601 4.1 29.5 1.0 C22 B:YNO601 4.1 27.9 1.0 OE2 B:GLU71 4.3 31.0 1.0 CD B:GLU71 4.3 31.4 1.0 C23 B:YNO601 4.6 28.6 1.0 C B:GLY69 4.6 27.5 1.0 O B:TRP68 4.7 27.6 1.0 CG B:TRP68 4.7 27.0 1.0 C B:TRP68 4.7 27.4 1.0 CA B:TRP68 5.0 26.7 1.0 N B:GLU71 5.0 30.2 1.0

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