Chlorine in PDB 8cm8: Galectin-8 N-Terminal Carbohydrate Recognition Domain in Complex with 4-(Bromophenyl)Phthalazinone D-Galactal Ligand

The structure of Galectin-8 N-Terminal Carbohydrate Recognition Domain in Complex with 4-(Bromophenyl)Phthalazinone D-Galactal Ligand, PDB code: 8cm8 was solved by S.Van Klaveren, M.Hakansson, C.Diehl, N.J.Nilsson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.19 / 1.22
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.71, 62.28, 84.75, 90, 90, 90
R / Rfree (%)	16.9 / 21.4

The structure of Galectin-8 N-Terminal Carbohydrate Recognition Domain in Complex with 4-(Bromophenyl)Phthalazinone D-Galactal Ligand also contains other interesting chemical elements:

Bromine

(Br)

2 atoms

The binding sites of Chlorine atom in the Galectin-8 N-Terminal Carbohydrate Recognition Domain in Complex with 4-(Bromophenyl)Phthalazinone D-Galactal Ligand (pdb code 8cm8). 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-8 N-Terminal Carbohydrate Recognition Domain in Complex with 4-(Bromophenyl)Phthalazinone D-Galactal Ligand, PDB code: 8cm8:

Chlorine binding site 1 out of 1 in the Galectin-8 N-Terminal Carbohydrate Recognition Domain in Complex with 4-(Bromophenyl)Phthalazinone D-Galactal Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Galectin-8 N-Terminal Carbohydrate Recognition Domain in Complex with 4-(Bromophenyl)Phthalazinone D-Galactal Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:27.6 occ:1.00 HZ1 A:LYS113 2.0 22.5 0.5 H B:GLY131 2.2 17.5 1.0 H A:ASP112 2.3 18.6 1.0 HZ3 A:LYS113 2.5 22.2 0.5 NZ A:LYS113 2.6 21.6 0.5 HZ2 B:LYS134 2.8 40.6 1.0 OD2 A:ASP112 2.8 35.1 1.0 HB2 A:ASP112 2.9 22.9 1.0 HB3 A:LYS111 3.1 20.5 1.0 N B:GLY131 3.1 18.0 1.0 N A:ASP112 3.1 18.3 1.0 HB3 A:LEU110 3.2 19.0 1.0 HZ2 A:LYS113 3.2 22.4 0.5 HA B:ILE130 3.3 17.5 1.0 HG21 B:ILE130 3.3 19.4 1.0 HG2 A:LYS113 3.4 20.7 0.5 H A:LYS111 3.5 18.4 1.0 CB A:ASP112 3.5 22.9 1.0 CG A:ASP112 3.5 31.4 1.0 HE2 A:LYS113 3.6 24.8 0.5 HA3 B:GLY131 3.6 18.1 1.0 NZ B:LYS134 3.6 43.1 1.0 HB2 A:LEU110 3.7 18.9 1.0 HZ3 B:LYS134 3.7 41.1 1.0 CE A:LYS113 3.7 26.3 0.5 CA A:ASP112 3.8 18.9 1.0 N A:LYS111 3.8 18.6 1.0 HG3 B:LYS134 3.8 25.7 1.0 H A:LYS113 3.9 16.9 0.5 CA B:GLY131 3.9 17.8 1.0 CB A:LEU110 3.9 18.9 1.0 CB A:LYS111 4.0 20.8 1.0 HG2 A:LYS113 4.0 17.7 0.5 C B:ILE130 4.0 16.4 1.0 H A:LYS113 4.0 17.3 0.5 CA B:ILE130 4.0 17.9 1.0 HZ1 B:LYS134 4.0 40.8 1.0 C A:LYS111 4.1 19.1 1.0 CG2 B:ILE130 4.1 19.4 1.0 CA A:LYS111 4.2 18.6 1.0 HD12 A:LEU110 4.2 21.1 1.0 HE2 A:LYS113 4.2 21.2 0.5 HG22 B:ILE130 4.2 19.3 1.0 CG A:LYS113 4.3 20.4 0.5 HB3 A:ASP112 4.4 23.0 1.0 N A:LYS113 4.4 16.7 0.5 HG2 B:LYS134 4.4 25.7 1.0 HD13 A:LEU110 4.4 21.2 1.0 N A:LYS113 4.4 17.0 0.5 HE3 A:LYS113 4.4 24.9 0.5 HE3 B:LYS134 4.4 35.7 1.0 HB2 A:LYS111 4.5 20.4 1.0 HA2 B:GLY131 4.5 18.0 1.0 C A:ASP112 4.5 18.5 1.0 CD A:LYS113 4.5 23.9 0.5 C A:LEU110 4.5 17.7 1.0 CG B:LYS134 4.6 26.9 1.0 CE B:LYS134 4.6 35.4 1.0 HA A:ASP112 4.6 19.1 1.0 HD3 A:LYS111 4.7 22.9 1.0 OD1 A:ASP112 4.7 35.7 1.0 CD1 A:LEU110 4.7 21.4 1.0 CB B:ILE130 4.7 18.7 1.0 HD3 A:LYS113 4.7 23.7 0.5 HG3 A:LYS113 4.7 20.6 0.5 OE2 B:GLU133 4.7 27.7 1.0 HG2 A:LYS111 4.8 22.0 1.0 CA A:LEU110 4.8 17.7 1.0 HG12 B:ILE130 4.9 20.1 1.0 O B:ARG129 4.9 18.5 1.0 CG A:LYS113 4.9 17.6 0.5 HG23 B:ILE130 4.9 19.1 1.0 CG A:LEU110 4.9 20.4 1.0 CG A:LYS111 4.9 22.1 1.0 HD3 A:LYS113 4.9 19.6 0.5 O A:HOH542 4.9 35.9 1.0

S.Van Klaveren, N.J.Nilsson. Halogenated Galactal-Phenylphthalazinone Hybrids As Highly Selective Galectin-8N Ligands To Be Published.