Chlorine in PDB 4lhe: Crystal Structure of Closed Form of Monoacylglycerol Lipase

All present enzymatic activity of Crystal Structure of Closed Form of Monoacylglycerol Lipase:
3.1.1.23;

The structure of Crystal Structure of Closed Form of Monoacylglycerol Lipase, PDB code: 4lhe was solved by T.Tsurumura, H.Tsuge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.34 / 1.96
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	99.755, 106.191, 43.053, 90.00, 90.00, 90.00
R / Rfree (%)	24.3 / 28

The binding sites of Chlorine atom in the Crystal Structure of Closed Form of Monoacylglycerol Lipase (pdb code 4lhe). 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 Closed Form of Monoacylglycerol Lipase, PDB code: 4lhe:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Closed Form of Monoacylglycerol Lipase


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 Closed Form of Monoacylglycerol Lipase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:16.4 occ:1.00 N A:LEU157 3.2 40.2 1.0 OG1 A:THR32 3.3 31.0 1.0 N A:THR32 3.4 30.8 1.0 N A:SER35 3.6 27.0 1.0 O A:THR32 3.8 28.1 1.0 CB A:HIS34 3.9 29.5 1.0 CB A:SER35 3.9 26.6 1.0 CA A:GLU156 3.9 41.9 1.0 CG A:GLU156 4.0 41.9 1.0 CA A:GLY31 4.0 31.6 1.0 C A:GLU156 4.1 42.5 1.0 CA A:LEU157 4.1 41.4 1.0 CB A:THR32 4.1 30.9 1.0 C A:GLY31 4.2 31.7 1.0 CB A:GLU156 4.2 43.6 1.0 CA A:THR32 4.2 30.2 1.0 CB A:LEU157 4.2 38.9 1.0 CA A:SER35 4.3 26.2 1.0 C A:THR32 4.3 29.1 1.0 C A:LEU157 4.4 42.9 1.0 CD2 A:HIS34 4.4 30.4 1.0 N A:ALA158 4.4 45.4 1.0 CG2 A:THR32 4.4 32.2 1.0 C A:HIS34 4.4 27.2 1.0 OG A:SER35 4.4 26.4 1.0 CA A:HIS34 4.5 28.1 1.0 N A:HIS34 4.5 28.5 1.0 CG A:HIS34 4.5 29.9 1.0 CG A:LEU157 4.6 36.8 1.0 CD A:GLU156 4.9 44.8 1.0 O A:HOH405 5.0 25.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Closed Form of Monoacylglycerol Lipase


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 Closed Form of Monoacylglycerol Lipase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:25.4 occ:1.00 N B:LEU157 3.3 47.7 1.0 OG1 B:THR32 3.4 34.8 1.0 N B:THR32 3.4 34.6 1.0 CG B:GLU156 3.4 49.9 1.0 OE2 B:GLU156 3.5 48.6 1.0 CB B:GLU156 3.6 50.6 1.0 N B:SER35 3.7 31.5 1.0 CD B:GLU156 3.8 51.0 1.0 CA B:GLU156 3.8 49.4 1.0 CB B:HIS34 3.8 34.5 1.0 O B:THR32 3.9 32.7 1.0 CB B:SER35 4.0 31.6 1.0 CA B:GLY31 4.0 35.1 1.0 C B:GLU156 4.0 49.4 1.0 CB B:THR32 4.1 36.2 1.0 C B:GLY31 4.2 35.7 1.0 CA B:THR32 4.2 34.8 1.0 CA B:LEU157 4.2 48.2 0.9 CG2 B:THR32 4.2 37.1 1.0 N B:ALA158 4.3 51.6 1.0 CA B:SER35 4.3 30.9 1.0 C B:LEU157 4.4 50.1 1.0 C B:THR32 4.4 33.1 1.0 C B:HIS34 4.5 32.1 1.0 CD2 B:HIS34 4.5 36.2 1.0 CB B:LEU157 4.5 45.2 0.9 CA B:HIS34 4.5 33.1 1.0 CG B:HIS34 4.5 35.4 1.0 OG B:SER35 4.6 31.0 1.0 N B:HIS34 4.6 32.7 1.0 O B:HOH420 4.6 28.3 1.0 OE1 B:GLU156 4.8 53.8 1.0 CG B:LEU157 4.9 43.7 0.7

T.Tsurumura, H.Tsuge. Substrate Selectivity of Bacterial Monoacylglycerol Lipase Based on Crystal Structure J.Struct.Funct.Genom. 2014.
ISSN: ISSN 1345-711X
PubMed: 24894647
DOI: 10.1007/S10969-014-9181-2