Chlorine in PDB 6w4z: Galectin-8N Terminal Domain in Complex with Methyl 3-O-[3-O- Benzyloxy]-Malonyl-Beta-D-Galactopyranoside

The structure of Galectin-8N Terminal Domain in Complex with Methyl 3-O-[3-O- Benzyloxy]-Malonyl-Beta-D-Galactopyranoside, PDB code: 6w4z was solved by B.Patel, C.Kishor, H.Blanchard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.31 / 1.59
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	110.391, 40.003, 70.324, 90.00, 98.22, 90.00
R / Rfree (%)	19.3 / 22.6

The binding sites of Chlorine atom in the Galectin-8N Terminal Domain in Complex with Methyl 3-O-[3-O- Benzyloxy]-Malonyl-Beta-D-Galactopyranoside (pdb code 6w4z). 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 Galectin-8N Terminal Domain in Complex with Methyl 3-O-[3-O- Benzyloxy]-Malonyl-Beta-D-Galactopyranoside, PDB code: 6w4z:

Chlorine binding site 1 out of 1 in the Galectin-8N Terminal Domain in Complex with Methyl 3-O-[3-O- Benzyloxy]-Malonyl-Beta-D-Galactopyranoside


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Galectin-8N Terminal Domain in Complex with Methyl 3-O-[3-O- Benzyloxy]-Malonyl-Beta-D-Galactopyranoside within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:44.0 occ:1.00 O A:PHE151 2.8 24.5 1.0 O A:ASN7 2.9 24.2 1.0 N A:PHE151 3.1 19.1 1.0 OD1 A:ASN7 3.4 23.4 1.0 CB A:ASN10 3.4 21.7 1.0 ND2 A:ASN7 3.6 23.7 1.0 CG A:ASN7 3.6 24.4 1.0 C A:PHE151 3.7 25.3 1.0 C A:ASN10 3.8 22.8 1.0 CG1 A:ILE11 3.8 19.6 1.0 N A:ILE11 3.8 20.6 1.0 CA A:PHE151 3.8 20.9 1.0 C A:ASN7 4.0 20.9 1.0 CA A:GLY150 4.0 17.8 1.0 CA A:ASN10 4.0 23.4 1.0 C A:GLY150 4.0 17.7 1.0 CB A:PHE151 4.1 21.9 1.0 O A:ASN10 4.1 25.2 1.0 N A:ASN10 4.3 22.0 1.0 CA A:ILE11 4.4 19.5 1.0 CD2 A:PHE151 4.5 24.1 1.0 CG A:ASN10 4.6 27.0 1.0 OD1 A:ASN10 4.6 27.7 1.0 CB A:ASN7 4.7 23.1 1.0 CA A:ASN7 4.7 21.1 1.0 CB A:ILE11 4.7 19.6 1.0 CG A:PHE151 4.8 21.6 1.0 CD1 A:ILE11 4.8 20.5 1.0 N A:LEU8 4.9 21.9 1.0 N A:SER152 5.0 25.1 1.0

B.Patel, C.Kishor, T.A.Houston, H.Shatz-Azoulay, Y.Zick, Y.Vinik, H.Blanchard. Rational Design and Synthesis of Methyl-Beta-D-Galactomalonyl Phenyl Esters As Potent Galectin-8 N Antagonists. J.Med.Chem. V. 63 11573 2020.
ISSN: ISSN 0022-2623
PubMed: 32809817
DOI: 10.1021/ACS.JMEDCHEM.0C00602