Bromine 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:

Chlorine

(Cl)

1 atom

The binding sites of Bromine 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 Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Human Monoglyceride Lipase with Ligand, PDB code: 7zpg:

Bromine 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 Bromine with other atoms in the Br 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:Br401 b:23.0 occ:1.00 BR28 A:JQX401 0.0 23.0 1.0 C3 A:JQX401 1.9 18.8 1.0 C2 A:JQX401 2.8 19.0 1.0 C4 A:JQX401 2.9 17.2 1.0 O27 A:JQX401 2.9 20.3 1.0 C7 A:JQX401 3.2 17.1 1.0 CD1 A:LEU213 3.6 17.1 1.0 O8 A:JQX401 3.7 17.2 1.0 N12 A:JQX401 3.7 16.9 1.0 CB A:ALA51 3.7 13.1 1.0 C13 A:JQX401 3.9 16.6 1.0 C14 A:JQX401 4.0 16.6 1.0 CD1 A:ILE179 4.1 37.0 1.0 C1 A:JQX401 4.1 18.6 1.0 C5 A:JQX401 4.2 16.9 1.0 CD1 A:LEU205 4.2 24.5 1.0 C29 A:JQX401 4.3 21.2 1.0 CE A:MET88 4.3 23.6 1.0 CD2 A:LEU205 4.5 24.9 1.0 C6 A:JQX401 4.6 18.4 1.0 CG1 A:ILE179 4.7 35.0 1.0 C11 A:JQX401 4.7 16.9 1.0 C10 A:JQX401 4.8 16.8 1.0 CG A:LEU205 4.9 24.0 1.0 N9 A:JQX401 4.9 16.5 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