Chlorine in PDB 4lbn: Crystal Structure of Human Galectin-3 Crd in Complex with Lnnt

The structure of Crystal Structure of Human Galectin-3 Crd in Complex with Lnnt, PDB code: 4lbn 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)	42.76 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.551, 57.875, 63.510, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 17.8

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

Chlorine binding site 1 out of 4 in the Crystal Structure of Human Galectin-3 Crd in Complex with Lnnt


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 Lnnt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:26.1 occ:1.00 O A:HOH414 3.0 21.5 1.0 N A:LYS226 3.1 13.4 1.0 O A:HOH419 3.4 36.1 1.0 N A:LYS227 3.6 12.6 1.0 CA A:LYS226 3.9 13.2 1.0 CG1 A:VAL225 3.9 14.0 1.0 C A:VAL225 4.0 11.7 1.0 CG A:LYS227 4.0 19.9 1.0 CA A:VAL225 4.0 10.0 1.0 CB A:LYS226 4.1 20.5 1.0 C A:LYS226 4.2 12.6 1.0 CD A:LYS227 4.2 25.4 1.0 CB A:LYS227 4.2 12.7 1.0 NH1 A:ARG151 4.5 20.7 1.0 CA A:LYS227 4.5 14.9 1.0 CB A:VAL225 4.6 11.1 1.0 CE A:LYS227 4.6 25.9 1.0 O A:HOH472 4.7 36.5 1.0 CZ A:ARG151 4.8 16.0 1.0 O A:HOH426 4.8 20.4 1.0 CG A:LYS226 4.9 25.8 1.0 O A:HOH461 4.9 37.1 1.0 O A:ARG224 4.9 12.9 1.0 NE A:ARG151 5.0 15.5 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Human Galectin-3 Crd in Complex with Lnnt


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 Lnnt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:26.2 occ:0.70 OG A:SER232 2.8 17.3 0.5 N A:GLY152 3.0 11.7 1.0 O A:GLN150 3.3 11.5 1.0 O A:HOH422 3.4 34.3 1.0 N A:SER232 3.7 9.6 1.0 CB A:SER232 3.8 15.1 0.5 CA A:ARG151 3.8 10.0 1.0 CA A:GLY152 3.8 13.7 1.0 O A:GLU230 3.9 12.8 1.0 C A:ARG151 3.9 11.0 1.0 CB A:SER232 3.9 16.8 0.5 C A:GLN150 3.9 11.0 1.0 N A:LYS233 4.0 10.4 1.0 CA A:SER232 4.1 11.2 0.5 CA A:SER232 4.1 11.5 0.5 C A:SER232 4.1 9.8 1.0 N A:ARG151 4.2 9.2 1.0 CB A:LYS233 4.3 20.2 1.0 CB A:GLN150 4.5 10.1 0.5 OG A:SER232 4.5 14.6 0.5 O A:GLY152 4.6 13.5 1.0 CB A:GLN150 4.7 14.9 0.5 C A:GLY152 4.8 12.8 1.0 O A:SER232 4.8 10.9 1.0 CA A:LYS233 4.8 12.8 1.0 C A:ILE231 4.9 10.8 1.0 CA A:GLN150 4.9 10.2 0.5 CA A:GLN150 4.9 10.1 0.5 C A:GLU230 5.0 9.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Human Galectin-3 Crd in Complex with Lnnt


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 Lnnt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:40.5 occ:1.00 NH1 A:ARG169 3.0 37.4 1.0 N A:SER194 3.2 17.3 1.0 OG A:SER194 3.6 22.1 0.5 CB A:SER194 3.7 35.4 0.5 CD2 A:PHE163 3.7 21.6 1.0 CB A:SER194 3.7 33.1 0.5 CA A:GLU193 3.8 19.9 1.0 C A:GLU193 4.0 17.1 1.0 CA A:SER194 4.1 14.3 0.5 CA A:SER194 4.1 13.8 0.5 CE2 A:PHE163 4.1 19.6 1.0 CD A:ARG169 4.1 33.7 1.0 CZ A:ARG169 4.2 48.3 1.0 O A:HOH449 4.2 40.9 1.0 CB A:GLU193 4.5 18.1 1.0 NE A:ARG169 4.6 27.1 1.0 O A:PHE192 4.6 17.3 1.0 N A:GLU193 4.9 13.7 1.0 CG A:PHE163 4.9 17.1 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Human Galectin-3 Crd in Complex with Lnnt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Galectin-3 Crd in Complex with Lnnt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:29.0 occ:0.70 CE1 A:HIS208 2.8 15.4 0.3 N A:ASP207 3.1 15.1 1.0 NE2 A:HIS208 3.2 16.3 0.3 ND1 A:HIS208 3.3 12.7 0.3 CD2 A:HIS208 3.3 16.7 0.7 CB A:GLU205 3.5 13.9 0.5 CB A:GLU205 3.5 13.7 0.5 CB A:ASP207 3.5 12.9 1.0 OE1 A:GLU205 3.6 41.5 0.5 CA A:ASP207 3.7 12.9 1.0 N A:HIS208 3.8 12.5 0.7 CD2 A:HIS208 3.8 10.3 0.3 CD A:PRO206 3.8 16.9 1.0 N A:PRO206 3.9 13.8 1.0 CG A:HIS208 3.9 12.1 0.3 N A:HIS208 3.9 10.8 0.3 C A:ASP207 4.1 13.1 1.0 CD A:GLU205 4.2 15.5 0.5 C A:PRO206 4.2 14.8 1.0 C A:GLU205 4.2 14.7 1.0 CG A:HIS208 4.3 16.4 0.7 OD2 A:ASP207 4.3 28.2 1.0 NE2 A:HIS208 4.3 23.0 0.7 CG A:ASP207 4.4 22.3 1.0 CG A:GLU205 4.4 15.2 0.5 CA A:PRO206 4.4 13.4 1.0 CB A:PRO206 4.5 19.9 1.0 CA A:GLU205 4.5 12.7 0.5 CA A:GLU205 4.5 13.3 0.5 CG A:GLU205 4.5 14.8 0.5 CB A:HIS208 4.5 13.5 0.7 CG A:PRO206 4.7 18.5 1.0 CA A:HIS208 4.7 13.3 0.7 O A:HIS208 4.9 11.6 0.3 O A:GLU205 4.9 12.1 1.0 CB A:HIS208 4.9 8.6 0.3 CA A:HIS208 4.9 10.0 0.3

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