Chlorine in PDB 8tms: Crystal Structure of Bacterial Pectin Methylesterase PMEC2 From Rumen Butyrivibrio

The structure of Crystal Structure of Bacterial Pectin Methylesterase PMEC2 From Rumen Butyrivibrio, PDB code: 8tms was solved by V.Carbone, K.Reilly, C.Sang, L.Schofield, R.Ronimus, W.J.Kelly, G.T.Attwood, N.Palevich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.17 / 2.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	48.638, 76.282, 96.779, 98.36, 104.16, 90.05
R / Rfree (%)	20.4 / 24

The binding sites of Chlorine atom in the Crystal Structure of Bacterial Pectin Methylesterase PMEC2 From Rumen Butyrivibrio (pdb code 8tms). 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 Bacterial Pectin Methylesterase PMEC2 From Rumen Butyrivibrio, PDB code: 8tms:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Bacterial Pectin Methylesterase PMEC2 From Rumen Butyrivibrio


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 Bacterial Pectin Methylesterase PMEC2 From Rumen Butyrivibrio within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:54.7 occ:1.00 OG1 A:THR108 3.6 34.0 1.0 O A:VAL107 3.7 25.9 1.0 O A:THR149 4.0 31.2 1.0 CB A:TYR151 4.2 29.1 1.0 N A:TYR151 4.3 26.7 1.0 C A:THR149 4.4 30.2 1.0 C A:VAL107 4.4 25.9 1.0 N A:VAL107 4.4 26.3 1.0 O A:HOH504 4.5 40.7 1.0 CB A:LYS106 4.5 32.4 1.0 C A:GLN150 4.6 26.9 1.0 CG2 A:THR149 4.6 33.0 1.0 N A:GLN150 4.7 29.4 1.0 CA A:GLN150 4.7 27.5 1.0 CA A:LYS106 4.8 29.2 1.0 CB A:THR149 4.9 32.6 1.0 CG A:LYS106 4.9 36.2 1.0 CA A:TYR151 4.9 27.3 1.0 CB A:THR108 5.0 30.7 1.0 C A:LYS106 5.0 26.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Bacterial Pectin Methylesterase PMEC2 From Rumen Butyrivibrio


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 Bacterial Pectin Methylesterase PMEC2 From Rumen Butyrivibrio within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:58.5 occ:1.00 OG1 B:THR108 3.7 36.5 1.0 O B:VAL107 3.7 26.5 1.0 O B:THR149 3.9 32.8 1.0 CB B:TYR151 4.3 30.0 1.0 CB B:LYS106 4.3 37.5 1.0 N B:TYR151 4.4 28.6 1.0 N B:VAL107 4.4 30.5 1.0 C B:THR149 4.4 33.1 1.0 C B:VAL107 4.4 28.1 1.0 CG2 B:THR149 4.6 36.1 1.0 C B:GLN150 4.7 29.6 1.0 N B:GLN150 4.7 32.4 1.0 CA B:LYS106 4.7 34.6 1.0 CA B:GLN150 4.7 30.8 1.0 CG B:LYS106 4.8 41.6 1.0 C B:LYS106 4.9 31.6 1.0 CB B:THR149 4.9 36.5 1.0

V.Carbone, K.Reilly, C.Sang, L.Schofield, R.Ronimus, W.J.Kelly, G.T.Attwood, N.Palevich. Crystal Structures of Bacterial Pectin Methylesterases PME8A and PMEC2 From Rumen Butyrivibrio To Be Published.