Chlorine in PDB 4uuq: Crystal Structure of Human Mono-Glyceride Lipase in Complex with SAR127303

All present enzymatic activity of Crystal Structure of Human Mono-Glyceride Lipase in Complex with SAR127303:
3.1.1.23;

The structure of Crystal Structure of Human Mono-Glyceride Lipase in Complex with SAR127303, PDB code: 4uuq was solved by G.Griebel, P.Pichat, S.Beeske, T.Leroy, N.Redon, D.Francon, L.Bert, L.Even, M.Lopez-Grancha, T.Tolstykh, F.Sun, Q.Yu, S.Brittain, H.Arlt, T.He, B.Zhang, D.Wiederschain, T.Bertrand, J.Houtman, A.Rak, F.Vallee, N.Michot, F.Auge, V.Menet, O.E.Bergis, P.George, P.Avenet, V.Mikol, M.Didier, J.Escoubet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	73.32 / 2.36
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	86.250, 126.260, 138.620, 90.00, 90.00, 90.00
R / Rfree (%)	20.99 / 25.91

The binding sites of Chlorine atom in the Crystal Structure of Human Mono-Glyceride Lipase in Complex with SAR127303 (pdb code 4uuq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Mono-Glyceride Lipase in Complex with SAR127303, PDB code: 4uuq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Mono-Glyceride Lipase in Complex with SAR127303


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 Mono-Glyceride Lipase in Complex with SAR127303 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1306 b:70.1 occ:1.00 CL1 A:64D1306 0.0 70.1 1.0 C15 A:64D1306 1.7 67.1 1.0 C16 A:64D1306 2.7 65.6 1.0 C14 A:64D1306 2.7 65.6 1.0 CD2 A:LEU215 3.8 58.0 1.0 C17 A:64D1306 4.0 64.2 1.0 C13 A:64D1306 4.0 64.0 1.0 CA A:GLY220 4.1 40.5 1.0 C10 A:64D1306 4.4 62.7 1.0 C A:GLY220 4.6 43.8 1.0 O A:GLY220 4.6 43.5 1.0 CG A:LEU215 4.7 55.8 1.0 CB A:ALA174 4.8 50.5 1.0 CD1 A:LEU186 4.9 73.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Mono-Glyceride Lipase in Complex with SAR127303


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Mono-Glyceride Lipase in Complex with SAR127303 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1306 b:82.7 occ:1.00 CL1 B:64D1306 0.0 82.7 1.0 C15 B:64D1306 1.7 81.7 1.0 C16 B:64D1306 2.7 81.3 1.0 C14 B:64D1306 2.7 81.4 1.0 O B:GLY220 3.8 45.0 1.0 CA B:GLY220 3.9 41.8 1.0 C17 B:64D1306 4.0 81.0 1.0 C13 B:64D1306 4.0 81.0 1.0 C B:GLY220 4.1 45.5 1.0 CD1 B:LEU186 4.2 58.2 1.0 C10 B:64D1306 4.4 80.5 1.0 CG B:LEU224 4.5 48.1 1.0 CD2 B:LEU215 4.6 59.7 1.0 CD1 B:LEU224 4.7 48.5 1.0 CD2 B:LEU224 4.9 50.9 1.0 CB B:SER165 4.9 63.1 1.0

G.Griebel, P.Pichat, S.Beeske, T.Leroy, N.Redon, A.Jacquet, D.Francon, L.Bert, L.Even, M.Lopez-Grancha, T.Tolstykh, F.Sun, Q.Yu, S.Brittain, H.Arlt, T.He, B.Zhang, D.Wiederschain, T.Bertrand, J.Houtmann, A.Rak, F.Vallee, N.Michot, F.Auge, V.Menet, O.E.Bergis, P.George, P.Avenet, V.Mikol, M.Didier, J.Escoubet. Selective Blockade of the Hydrolysis of the Endocannabinoid 2-Arachidonoylglycerol Impairs Learning and Memory Performance While Producing Antinociceptive Activity in Rodents. Sci.Rep. V. 5 7642 2015.
ISSN: ISSN 2045-2322
PubMed: 25560837
DOI: 10.1038/SREP07642