Chlorine in PDB 7p1m: Galectin-8 N-Terminal Carbohydrate Recognition Domain in Complex with Benzimidazole D-Galactal Ligand

The structure of Galectin-8 N-Terminal Carbohydrate Recognition Domain in Complex with Benzimidazole D-Galactal Ligand, PDB code: 7p1m was solved by M.Hassan, M.Hakansson, J.U.Nilsson, R.Kovacic, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.91 / 1.52
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.36, 61.82, 84.59, 90, 90, 90
R / Rfree (%)	14.5 / 20.7

The binding sites of Chlorine atom in the Galectin-8 N-Terminal Carbohydrate Recognition Domain in Complex with Benzimidazole D-Galactal Ligand (pdb code 7p1m). 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 Benzimidazole D-Galactal Ligand, PDB code: 7p1m:

Chlorine binding site 1 out of 1 in the Galectin-8 N-Terminal Carbohydrate Recognition Domain in Complex with Benzimidazole 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 Benzimidazole D-Galactal Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:36.8 occ:1.00 NZ A:LYS113 2.9 50.9 1.0 N B:GLY131 3.1 26.3 1.0 N A:ASP112 3.2 30.1 1.0 NZ B:LYS134 3.5 51.6 1.0 CB A:ASP112 3.5 36.5 1.0 CB A:LEU110 3.8 27.0 1.0 OD2 A:ASP112 3.8 55.0 1.0 CA A:ASP112 3.8 34.1 1.0 CA B:GLY131 3.9 26.2 1.0 N A:LYS111 3.9 27.4 1.0 CE A:LYS113 3.9 45.7 1.0 CG A:ASP112 4.0 41.7 1.0 C B:ILE130 4.1 25.7 1.0 CA B:ILE130 4.1 25.6 1.0 CB A:LYS111 4.1 31.8 1.0 C A:LYS111 4.2 27.5 1.0 N A:LYS113 4.3 28.7 1.0 CG2 B:ILE130 4.3 30.9 1.0 CA A:LYS111 4.3 29.5 1.0 C A:ASP112 4.3 29.5 1.0 CG A:LYS113 4.4 35.8 1.0 C A:LEU110 4.5 26.8 1.0 CD1 A:LEU110 4.5 27.9 1.0 OE2 B:GLU133 4.6 36.0 1.0 CG B:LYS134 4.6 34.8 1.0 CE B:LYS134 4.7 45.0 1.0 CD A:LYS113 4.7 39.7 1.0 CA A:LEU110 4.8 26.7 1.0 CG A:LEU110 4.8 23.8 1.0 CB B:ILE130 4.8 28.3 1.0 O B:ARG129 5.0 27.0 1.0 OD1 A:ASP112 5.0 46.0 1.0

M.Hassan, F.Baussiere, S.Guzelj, A.P.Sundin, M.Hakansson, R.Kovacic, H.Leffler, T.Tomasic, M.Anderluh, Z.Jakopin, U.J.Nilsson. Structure-Guided Design of D-Galactal Derivatives with High Affinity and Selectivity For the Galectin-8 N-Terminal Domain. Acs Med.Chem.Lett. V. 12 1745 2021.
ISSN: ISSN 1948-5875
PubMed: 34795863
DOI: 10.1021/ACSMEDCHEMLETT.1C00371