Chlorine in PDB 7zpg: Crystal Structure of Human Monoglyceride Lipase with Ligand

All present enzymatic activity of Crystal Structure of Human Monoglyceride Lipase with Ligand:
3.1.1.23;

The structure of Crystal Structure of Human Monoglyceride Lipase with Ligand, PDB code: 7zpg was solved by A.Kemble, B.Hornsperger, I.Ruf, H.Richter, J.Benz, B.Kuhn, D.Heer, M.Wittwer, B.Engelhardt, U.Grether, L.Collin, L.Leibrock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.71 / 1.16
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	91.884, 127.43, 60.461, 90, 90, 90
R / Rfree (%)	17.7 / 18.5

The structure of Crystal Structure of Human Monoglyceride Lipase with Ligand also contains other interesting chemical elements:

Bromine

(Br)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Human Monoglyceride Lipase with Ligand (pdb code 7zpg). 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 Crystal Structure of Human Monoglyceride Lipase with Ligand, PDB code: 7zpg:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human Monoglyceride Lipase with Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Monoglyceride Lipase with Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:27.3 occ:1.00 CL26 A:JQX401 0.0 27.3 1.0 C23 A:JQX401 1.7 23.7 1.0 C22 A:JQX401 2.7 22.7 1.0 C24 A:JQX401 2.7 22.4 1.0 CB A:ALA164 3.3 20.0 1.0 O A:LYS160 3.6 22.7 1.0 CA A:VAL161 4.0 21.6 1.0 C21 A:JQX401 4.0 21.1 1.0 C25 A:JQX401 4.0 21.5 1.0 C A:LYS160 4.0 22.4 1.0 O A:HOH524 4.1 30.0 1.0 N A:VAL161 4.2 21.5 1.0 CD1 A:LEU214 4.2 20.3 1.0 O A:HOH617 4.2 38.5 1.0 O A:HOH862 4.3 40.2 1.0 CG2 A:VAL161 4.3 23.4 1.0 C19 A:JQX401 4.5 19.9 1.0 O A:SER155 4.6 26.8 1.0 CA A:ALA164 4.7 20.2 1.0 CB A:VAL161 4.7 22.5 1.0 CB A:LYS160 4.8 25.0 1.0 O A:VAL161 4.9 22.5 1.0 C A:VAL161 4.9 22.0 1.0 N A:ALA164 5.0 21.2 1.0

A.M.Kemble, B.Hornsperger, I.Ruf, H.Richter, J.Benz, B.Kuhn, D.Heer, M.Wittwer, B.Engelhardt, U.Grether, L.Collin. A Potent and Selective Inhibitor For the Modulation of Magl Activity in the Neurovasculature. Plos One V. 17 68590 2022.
ISSN: ESSN 1932-6203
PubMed: 36084029
DOI: 10.1371/JOURNAL.PONE.0268590