Chlorine in PDB 7rdo: Crystal Structure of Human Galectin-3 Crd in Complex with Diselenodigalactoside

The structure of Crystal Structure of Human Galectin-3 Crd in Complex with Diselenodigalactoside, PDB code: 7rdo was solved by C.Kishor, R.M.Go, H.Blanchard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.55 / 1.99
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.906, 58.366, 63.059, 90, 90, 90
R / Rfree (%)	17.9 / 24.7

The structure of Crystal Structure of Human Galectin-3 Crd in Complex with Diselenodigalactoside also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Human Galectin-3 Crd in Complex with Diselenodigalactoside (pdb code 7rdo). 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 Crystal Structure of Human Galectin-3 Crd in Complex with Diselenodigalactoside, PDB code: 7rdo:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human Galectin-3 Crd in Complex with Diselenodigalactoside


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Galectin-3 Crd in Complex with Diselenodigalactoside within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:26.6 occ:1.00 O A:HOH450 3.0 24.0 1.0 N A:LYS226 3.3 17.4 1.0 N A:LYS227 3.5 18.9 1.0 CG A:LYS227 3.9 25.1 1.0 CG1 A:VAL225 4.0 16.8 1.0 CA A:LYS226 4.0 18.3 1.0 CB A:LYS226 4.1 17.8 1.0 CD A:LYS227 4.1 30.1 1.0 C A:VAL225 4.1 16.1 1.0 CB A:LYS227 4.2 23.1 1.0 CA A:VAL225 4.2 15.2 1.0 C A:LYS226 4.2 19.1 1.0 NH1 A:ARG151 4.3 17.1 1.0 CA A:LYS227 4.5 20.2 1.0 CG A:LYS226 4.5 19.3 1.0 CZ A:ARG151 4.5 16.8 1.0 CB A:VAL225 4.7 15.7 1.0 CE A:LYS227 4.8 33.4 1.0 O A:HOH418 4.8 18.0 1.0 NE A:ARG151 4.8 16.1 1.0

M.Raics, A.K.Balogh, C.Kishor, I.Timari, F.J.Medrano, A.Romero, R.M.Go, H.Blanchard, L.Szilagyi, K.E Kover, K.Feher. Investigation of the Molecular Details of the Interactions of Selenoglycosides and Human Galectin-3. Int J Mol Sci V. 23 2022.
ISSN: ESSN 1422-0067
PubMed: 35269646
DOI: 10.3390/IJMS23052494