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

The structure of Crystal Structure of Human Galectin-3 Crd in Complex with A-GM3, PDB code: 4lbo was solved by P.M.Collins, H.Blanchard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.03 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.992, 58.277, 63.810, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 19.3

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

Chlorine binding site 1 out of 3 in the Crystal Structure of Human Galectin-3 Crd 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 in Complex with A-GM3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:43.1 occ:1.00 N A:ASP207 3.1 13.2 1.0 NE2 A:HIS208 3.1 17.6 0.5 CD2 A:HIS208 3.4 14.9 0.5 CB A:ASP207 3.6 14.8 1.0 ND1 A:HIS208 3.6 13.9 0.5 CB A:GLU205 3.6 15.7 1.0 CE1 A:HIS208 3.6 19.7 0.5 CD A:PRO206 3.7 17.2 1.0 CA A:ASP207 3.7 12.7 1.0 N A:PRO206 3.7 13.8 1.0 N A:HIS208 3.9 11.8 0.5 OE1 A:GLU205 4.0 38.5 1.0 N A:HIS208 4.0 11.8 0.5 CG A:HIS208 4.1 14.2 0.5 C A:PRO206 4.1 13.4 1.0 C A:GLU205 4.2 12.7 1.0 ND1 A:HIS208 4.2 20.6 0.5 C A:ASP207 4.2 11.4 1.0 OD2 A:ASP207 4.2 24.3 1.0 CA A:PRO206 4.3 13.9 1.0 CG A:ASP207 4.3 17.5 1.0 CB A:PRO206 4.3 18.8 1.0 CE1 A:HIS208 4.3 17.0 0.5 CG A:PRO206 4.5 20.8 1.0 CA A:GLU205 4.5 13.2 1.0 CG A:HIS208 4.6 15.0 0.5 CD A:GLU205 4.7 34.6 1.0 CG A:GLU205 4.7 18.9 1.0 CB A:HIS208 4.8 11.8 0.5 O A:GLU205 4.8 12.2 1.0 CA A:HIS208 4.9 10.8 0.5

Chlorine binding site 2 out of 3 in the Crystal Structure of Human Galectin-3 Crd 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 in Complex with A-GM3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:31.2 occ:1.00 O A:HOH484 2.8 39.6 1.0 O A:HOH424 3.0 26.2 1.0 N A:LYS226 3.1 11.7 1.0 O A:HOH445 3.4 40.4 1.0 N A:LYS227 3.6 12.2 1.0 CG A:LYS227 3.9 18.2 1.0 CA A:LYS226 3.9 11.4 1.0 C A:VAL225 4.0 12.2 1.0 CG1 A:VAL225 4.0 14.6 1.0 CA A:VAL225 4.0 10.8 1.0 CD A:LYS227 4.2 23.1 1.0 C A:LYS226 4.2 14.1 1.0 CB A:LYS226 4.2 16.4 1.0 CB A:LYS227 4.2 14.1 1.0 CA A:LYS227 4.5 15.0 1.0 CB A:VAL225 4.6 12.0 1.0 CE A:LYS227 4.6 29.4 1.0 O A:HOH485 4.6 40.1 1.0 NH1 A:ARG151 4.7 19.8 1.0 CG A:LYS226 4.8 17.6 1.0 CZ A:ARG151 4.9 15.9 1.0 O A:HOH417 4.9 19.2 1.0 O A:ARG224 4.9 14.3 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Human Galectin-3 Crd 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 3 of Crystal Structure of Human Galectin-3 Crd in Complex with A-GM3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:42.2 occ:1.00 N A:SER194 3.1 17.2 0.5 N A:SER194 3.1 17.3 0.5 NH1 A:ARG169 3.3 39.5 1.0 OG A:SER194 3.5 20.8 0.5 CB A:SER194 3.6 23.1 0.5 CB A:SER194 3.7 21.2 0.5 CA A:GLU193 3.8 17.2 1.0 CD2 A:PHE163 3.9 20.6 1.0 O A:HOH458 3.9 43.8 1.0 C A:GLU193 4.0 19.3 1.0 CA A:SER194 4.0 17.4 0.5 CA A:SER194 4.0 16.6 0.5 CE2 A:PHE163 4.1 19.3 1.0 CZ A:ARG169 4.4 46.2 1.0 CD A:ARG169 4.4 29.5 1.0 CB A:GLU193 4.6 24.3 1.0 O A:PHE192 4.6 18.2 1.0 NE A:ARG169 4.8 31.6 1.0 CG A:GLU193 4.9 30.8 1.0 N A:GLU193 4.9 16.9 1.0 OG A:SER194 4.9 29.4 0.5

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