Chlorine in PDB 4lbl: Crystal Structure of Human Galectin-3 Crd K176L Mutant in Complex with A-GM3

The structure of Crystal Structure of Human Galectin-3 Crd K176L Mutant in Complex with A-GM3, PDB code: 4lbl was solved by K.Bum-Erdene, H.Blanchard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.51 / 1.58
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.860, 57.610, 62.590, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 19

The binding sites of Chlorine atom in the Crystal Structure of Human Galectin-3 Crd K176L Mutant in Complex with A-GM3 (pdb code 4lbl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Galectin-3 Crd K176L Mutant in Complex with A-GM3, PDB code: 4lbl:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Galectin-3 Crd K176L Mutant in Complex with A-GM3


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 K176L Mutant in Complex with A-GM3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:11.1 occ:1.00 O A:HOH559 3.1 9.5 1.0 N A:LYS226 3.1 7.3 1.0 O A:HOH445 3.2 14.1 1.0 N A:LYS227 3.5 7.9 1.0 CG A:LYS227 3.8 8.7 1.0 CA A:LYS226 3.9 8.3 1.0 CB A:LYS226 3.9 9.5 1.0 CG1 A:VAL225 4.0 6.9 1.0 CD A:LYS227 4.0 11.3 1.0 C A:VAL225 4.0 6.1 1.0 CB A:LYS227 4.1 7.9 1.0 CA A:VAL225 4.1 6.4 1.0 C A:LYS226 4.2 7.1 1.0 CG A:LYS226 4.3 12.0 1.0 NH1 A:ARG151 4.3 9.0 1.0 CA A:LYS227 4.4 7.0 1.0 CZ A:ARG151 4.5 8.9 1.0 O A:HOH440 4.6 13.8 1.0 CB A:VAL225 4.6 6.2 1.0 CE A:LYS227 4.6 14.6 1.0 O A:HOH415 4.7 8.8 1.0 NE A:ARG151 4.8 7.7 1.0 CD A:ARG151 5.0 7.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Galectin-3 Crd K176L Mutant in Complex with A-GM3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Galectin-3 Crd K176L Mutant in Complex with A-GM3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:20.8 occ:1.00 N A:GLY152 3.1 7.2 1.0 O A:HOH592 3.3 34.5 1.0 O A:GLN150 3.5 6.7 1.0 N A:SER232 3.7 6.0 1.0 CB A:SER232 3.7 7.3 1.0 CA A:GLY152 3.9 6.8 1.0 O A:GLU230 3.9 5.8 1.0 CG A:LYS233 3.9 16.3 1.0 CA A:SER232 4.0 5.8 1.0 CA A:ARG151 4.0 6.7 1.0 N A:LYS233 4.0 6.3 1.0 C A:SER232 4.0 6.5 1.0 C A:ARG151 4.0 6.2 1.0 C A:GLN150 4.0 6.1 1.0 CE A:LYS233 4.2 30.9 1.0 CD A:LYS233 4.3 21.2 1.0 N A:ARG151 4.4 6.3 1.0 CB A:LYS233 4.4 11.1 1.0 OG A:SER232 4.5 8.4 1.0 CB A:GLN150 4.5 8.5 1.0 O A:GLY152 4.6 8.9 1.0 O A:SER232 4.7 6.6 1.0 C A:GLY152 4.8 8.6 1.0 C A:ILE231 4.8 5.7 1.0 CA A:LYS233 4.8 8.4 1.0 O A:HOH532 5.0 30.1 1.0 C A:GLU230 5.0 6.2 1.0 CA A:GLN150 5.0 7.1 1.0

P.M.Collins, K.Bum-Erdene, X.Yu, H.Blanchard. Galectin-3 Interactions with Glycosphingolipids. J.Mol.Biol. V. 426 1439 2014.
ISSN: ISSN 0022-2836
PubMed: 24326249
DOI: 10.1016/J.JMB.2013.12.004