Chlorine in PDB 6xkd: Structure of Ligand-Bound Mouse Cgamp Hydrolase ENPP1

The structure of Structure of Ligand-Bound Mouse Cgamp Hydrolase ENPP1, PDB code: 6xkd was solved by D.Fernandez, L.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.64 / 3.20
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	102.35, 102.35, 172.891, 90, 90, 120
R / Rfree (%)	20.1 / 27.3

The structure of Structure of Ligand-Bound Mouse Cgamp Hydrolase ENPP1 also contains other interesting chemical elements:

Zinc	(Zn)	4 atoms
Calcium	(Ca)	2 atoms

The binding sites of Chlorine atom in the Structure of Ligand-Bound Mouse Cgamp Hydrolase ENPP1 (pdb code 6xkd). 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 Structure of Ligand-Bound Mouse Cgamp Hydrolase ENPP1, PDB code: 6xkd:

Chlorine binding site 1 out of 1 in the Structure of Ligand-Bound Mouse Cgamp Hydrolase ENPP1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Ligand-Bound Mouse Cgamp Hydrolase ENPP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1010 b:43.7 occ:1.00 OE1 A:GLU542 3.2 82.3 1.0 O B:CYS828 3.9 63.6 1.0 O A:GLU542 4.0 53.2 1.0 OG B:SER829 4.1 51.3 1.0 CD A:GLU542 4.1 75.9 1.0 CG A:GLU542 4.3 68.4 1.0 CA B:SER829 4.5 54.2 1.0 C A:GLU542 4.6 52.0 1.0 C A:VAL543 4.6 49.3 1.0 CB B:SER829 4.6 52.0 1.0 O A:VAL543 4.7 49.9 1.0 CB A:GLU542 4.7 59.7 1.0 C B:CYS828 4.7 61.1 1.0 N A:ASP544 4.8 52.1 1.0 NE2 B:GLN885 4.9 42.4 1.0 N B:SER829 5.0 57.2 1.0

J.A.Carozza, J.A.Brown, V.Bohnert, D.Fernandez, Y.Alsaif, R.E.Mardjuki, M.Smith, L.Li. Structure-Aided Development of Small-Molecule Inhibitors of ENPP1, the Extracellular Phosphodiesterase of the Immunotransmitter Cgamp. Cell Chem Biol V. 27 1347 2020.
ISSN: ESSN 2451-9456
PubMed: 32726585
DOI: 10.1016/J.CHEMBIOL.2020.07.007