Chlorine in PDB 6b8k: Crystal Structure of Human Galectin-3 Crd in Complex with Lactulose

The structure of Crystal Structure of Human Galectin-3 Crd in Complex with Lactulose, PDB code: 6b8k was solved by C.Kishor, H.Blanchard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.67 / 1.28
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.170, 57.870, 62.600, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 19.5

The binding sites of Chlorine atom in the Crystal Structure of Human Galectin-3 Crd in Complex with Lactulose (pdb code 6b8k). 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 Lactulose, PDB code: 6b8k:
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 Lactulose


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 Lactulose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:10.6 occ:1.00 O A:HOH520 3.1 13.1 1.0 O A:HOH560 3.2 9.5 1.0 N A:LYS226 3.2 7.1 1.0 N A:LYS227 3.4 6.8 1.0 CG A:LYS227 3.8 8.5 1.0 CG1 A:VAL225 3.9 7.4 1.0 CD A:LYS227 3.9 11.0 1.0 CA A:LYS226 3.9 8.2 1.0 CB A:LYS226 4.0 10.0 1.0 CA A:VAL225 4.0 7.6 1.0 CB A:LYS227 4.0 7.9 1.0 C A:VAL225 4.1 7.5 1.0 C A:LYS226 4.2 6.4 1.0 NH1 A:ARG151 4.3 7.9 1.0 CA A:LYS227 4.3 7.5 1.0 CG A:LYS226 4.4 10.3 1.0 CZ A:ARG151 4.5 8.1 1.0 CB A:VAL225 4.5 7.3 1.0 NE A:ARG151 4.7 7.5 1.0 O A:HOH494 4.7 12.1 1.0 O A:HOH462 4.7 8.6 1.0 CE A:LYS227 4.7 11.8 1.0 CD A:ARG151 4.9 7.0 1.0

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


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 Lactulose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:37.2 occ:1.00 N A:SER194 3.1 9.8 1.0 NH1 A:ARG169 3.3 19.3 0.5 OE1 A:GLU193 3.3 16.1 0.5 NH2 A:ARG169 3.5 11.5 0.5 CZ A:ARG169 3.5 10.2 0.5 OG A:SER194 3.6 14.5 1.0 CD2 A:PHE163 3.7 11.0 1.0 CA A:GLU193 3.7 11.0 0.5 NH1 A:ARG169 3.7 9.5 0.5 CA A:GLU193 3.7 10.7 0.5 O A:HOH442 3.8 34.2 1.0 C A:GLU193 3.9 9.7 1.0 CB A:SER194 3.9 13.0 1.0 CE2 A:PHE163 4.0 11.9 1.0 CA A:SER194 4.0 10.5 1.0 NE A:ARG169 4.1 12.1 0.5 CD A:GLU193 4.4 15.3 0.5 CD A:ARG169 4.4 14.1 0.5 O A:PHE192 4.4 12.4 1.0 CZ A:ARG169 4.5 16.8 0.5 CB A:GLU193 4.5 13.0 0.5 CB A:GLU193 4.6 12.2 0.5 CD A:ARG169 4.6 12.0 0.5 N A:GLU193 4.8 10.6 1.0 NE A:ARG169 4.9 14.9 0.5 CG A:PHE163 4.9 10.6 1.0 CG A:GLU193 5.0 15.1 0.5

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


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 Lactulose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:21.5 occ:1.00 O A:HOH515 2.7 23.6 1.0 NH1 A:ARG183 3.2 50.5 1.0 CG A:ARG183 3.8 23.8 1.0 CD A:ARG183 3.8 28.3 1.0 CZ A:ARG183 4.2 46.4 1.0 NE A:ARG183 4.4 41.4 1.0 O A:GLU184 4.4 14.3 1.0 O A:HOH513 4.8 25.9 1.0

C.Kishor, C.Kishor, H.Blanchard. N/A N/A.