Chlorine in PDB 7be3: Human Galectin-3 in Complex with Lacdinac

The structure of Human Galectin-3 in Complex with Lacdinac, PDB code: 7be3 was solved by F.Trovao, A.L.Carvalho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.19 / 1.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.039, 58.048, 62.286, 90, 90, 90
R / Rfree (%)	17 / 19.5

The binding sites of Chlorine atom in the Human Galectin-3 in Complex with Lacdinac (pdb code 7be3). 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 Human Galectin-3 in Complex with Lacdinac, PDB code: 7be3:

Chlorine binding site 1 out of 1 in the Human Galectin-3 in Complex with Lacdinac


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Galectin-3 in Complex with Lacdinac within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:13.6 occ:1.00 O A:HOH656 3.1 13.3 1.0 N A:LYS226 3.2 11.0 1.0 O3 A:GOL401 3.2 16.8 1.0 N A:LYS227 3.5 10.5 1.0 C3 A:GOL401 3.6 26.1 1.0 CG A:LYS227 3.8 12.1 1.0 CG1 A:VAL225 3.9 12.0 1.0 CA A:LYS226 3.9 11.5 1.0 CD A:LYS227 3.9 14.6 1.0 CB A:LYS226 4.0 14.1 1.0 C A:VAL225 4.0 12.1 1.0 CB A:LYS227 4.1 12.2 1.0 CA A:VAL225 4.1 10.8 1.0 C A:LYS226 4.1 11.2 1.0 CA A:LYS227 4.4 11.8 1.0 CG A:LYS226 4.4 15.1 1.0 NH1 A:ARG151 4.4 13.6 1.0 CB A:VAL225 4.6 10.7 1.0 CE A:LYS227 4.6 15.1 1.0 CZ A:ARG151 4.6 12.8 1.0 O A:HOH579 4.6 17.0 1.0 O A:HOH547 4.7 13.3 1.0 NE A:ARG151 4.8 12.5 1.0 CD A:ARG151 5.0 11.7 1.0

C.D.L.Lima, H.Coelho, A.Gimeno, F.Trovao, A.Diniz, J.S.Dias, J.Jimenez-Barbero, F.Corzana, A.L.Carvalho, E.J.Cabrita, F.Marcelo. Structural Insights Into the Molecular Recognition Mechanism of the Cancer and Pathogenic Epitope, Lacdinac By Immune-Related Lectins. Chemistry 2021.
ISSN: ISSN 0947-6539
PubMed: 33826192
DOI: 10.1002/CHEM.202100800