Chlorine in PDB 3t1m: Crystal Structure of Human Galectin-3 Carbohydrate Recognition Domain in Complex with Methyl 3-Deoxy-2-O-Toluoyl-3-N-Toluoyl-Beta-D- Talopyranoside

The structure of Crystal Structure of Human Galectin-3 Carbohydrate Recognition Domain in Complex with Methyl 3-Deoxy-2-O-Toluoyl-3-N-Toluoyl-Beta-D- Talopyranoside, PDB code: 3t1m was solved by H.Blanchard, P.M.Collins, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.07 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.062, 58.369, 63.805, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 19.3

The binding sites of Chlorine atom in the Crystal Structure of Human Galectin-3 Carbohydrate Recognition Domain in Complex with Methyl 3-Deoxy-2-O-Toluoyl-3-N-Toluoyl-Beta-D- Talopyranoside (pdb code 3t1m). 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 Carbohydrate Recognition Domain in Complex with Methyl 3-Deoxy-2-O-Toluoyl-3-N-Toluoyl-Beta-D- Talopyranoside, PDB code: 3t1m:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human Galectin-3 Carbohydrate Recognition Domain in Complex with Methyl 3-Deoxy-2-O-Toluoyl-3-N-Toluoyl-Beta-D- Talopyranoside


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 Carbohydrate Recognition Domain in Complex with Methyl 3-Deoxy-2-O-Toluoyl-3-N-Toluoyl-Beta-D- Talopyranoside within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl500 b:20.4 occ:1.00 O A:HOH35 3.1 16.7 1.0 O A:HOH41 3.1 23.6 1.0 N A:LYS226 3.2 9.2 1.0 N A:LYS227 3.6 8.9 1.0 CG A:LYS227 3.8 12.8 1.0 CG1 A:VAL225 3.9 11.4 1.0 CA A:LYS226 4.0 10.8 1.0 C A:VAL225 4.0 8.9 1.0 CA A:VAL225 4.0 6.9 1.0 CD A:LYS227 4.0 16.6 1.0 CB A:LYS227 4.2 10.5 1.0 C A:LYS226 4.2 10.3 1.0 CB A:LYS226 4.3 15.1 1.0 O A:HOH90 4.4 27.8 1.0 CA A:LYS227 4.5 9.6 1.0 CE A:LYS227 4.5 19.7 1.0 CB A:VAL225 4.5 9.5 1.0 NH1 A:ARG151 4.6 16.8 1.0 CZ A:ARG151 4.8 13.6 1.0 O A:HOH36 4.9 16.4 1.0 CG A:LYS226 4.9 17.8 1.0 O A:ARG224 4.9 11.6 1.0 O A:HOH262 5.0 33.4 1.0 NE A:ARG151 5.0 12.4 1.0

P.M.Collins, C.T.Oberg, H.Leffler, U.J.Nilsson, H.Blanchard. Taloside Inhibitors of Galectin-1 and Galectin-3 Chem.Biol.Drug Des. V. 79 339 2012.
ISSN: ISSN 1747-0277
PubMed: 22136701
DOI: 10.1111/J.1747-0285.2011.01283.X