Chlorine in PDB 9g73: Crystal Structure of Mouse Carboxylesterase 2E (CES2E)

All present enzymatic activity of Crystal Structure of Mouse Carboxylesterase 2E (CES2E):
3.1.1.88;

The structure of Crystal Structure of Mouse Carboxylesterase 2E (CES2E), PDB code: 9g73 was solved by H.Eisner, T.Sagmeister, L.Rammer, M.Oberer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.65 / 2.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	126.931, 145.243, 149.432, 90, 90, 90
R / Rfree (%)	17.6 / 21.4

The binding sites of Chlorine atom in the Crystal Structure of Mouse Carboxylesterase 2E (CES2E) (pdb code 9g73). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Mouse Carboxylesterase 2E (CES2E), PDB code: 9g73:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Mouse Carboxylesterase 2E (CES2E)


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 Mouse Carboxylesterase 2E (CES2E) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl608 b:26.0 occ:0.95 H A:GLY149 2.3 21.2 1.0 H A:ALA150 2.3 23.0 1.0 H A:ALA229 2.5 23.0 1.0 HB3 A:SER228 2.8 28.3 1.0 OG A:SER228 2.9 30.9 1.0 N A:ALA150 3.1 23.0 1.0 N A:GLY149 3.1 21.0 1.0 O A:HOH835 3.1 52.2 1.0 CB A:SER228 3.3 28.7 1.0 HB2 A:ALA229 3.3 22.5 1.0 N A:ALA229 3.4 22.5 1.0 HB3 A:ALA229 3.5 22.5 1.0 HA2 A:GLY149 3.6 21.8 1.0 HA3 A:GLY148 3.7 20.4 1.0 CA A:GLY149 3.7 21.9 1.0 HA A:ALA150 3.7 23.6 1.0 CB A:ALA229 3.8 22.7 1.0 C A:GLY149 3.9 22.4 1.0 HB2 A:SER228 3.9 28.3 1.0 CA A:ALA150 4.0 23.5 1.0 HB2 A:ALA150 4.1 23.7 1.0 C A:GLY148 4.2 21.0 1.0 CA A:ALA229 4.2 22.2 1.0 CA A:GLY148 4.3 20.9 1.0 C A:SER228 4.3 24.8 1.0 HA2 A:GLY148 4.4 20.4 1.0 CA A:SER228 4.4 25.4 1.0 O A:HOH942 4.4 61.2 1.0 HD12 A:LEU262 4.6 29.2 1.0 CB A:ALA150 4.6 23.8 1.0 HB1 A:ALA229 4.7 22.5 1.0 HA3 A:GLY149 4.7 21.8 1.0 O A:HOH1062 4.7 37.3 1.0 HA A:ALA229 4.7 22.3 1.0 H A:GLY230 4.9 21.2 1.0 HA A:SER228 4.9 25.4 1.0 H A:LEU151 5.0 22.5 1.0 NE2 A:HIS457 5.0 27.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Mouse Carboxylesterase 2E (CES2E)


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 Mouse Carboxylesterase 2E (CES2E) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl609 b:38.1 occ:0.85 H A:GLU80 2.3 37.3 1.0 HA A:LYS65 3.0 30.8 1.0 HA A:PRO79 3.1 32.2 1.0 HD3 A:PRO66 3.1 27.6 1.0 N A:GLU80 3.1 36.4 1.0 O A:HOH945 3.3 25.2 1.0 HG2 A:GLU80 3.4 53.5 1.0 HB2 A:GLU80 3.4 46.9 1.0 HG3 A:LYS65 3.5 39.5 1.0 HB3 A:PRO79 3.6 30.4 1.0 HB2 A:PRO79 3.7 30.4 1.0 CA A:PRO79 3.7 32.6 1.0 HD2 A:PRO66 3.8 27.6 1.0 CB A:PRO79 3.8 29.9 1.0 CD A:PRO66 3.9 27.5 1.0 C A:PRO79 3.9 34.9 1.0 CB A:GLU80 3.9 46.5 1.0 CA A:LYS65 4.0 31.4 1.0 CG A:GLU80 4.0 53.9 1.0 CA A:GLU80 4.1 41.8 1.0 HB2 A:PRO62 4.2 26.3 1.0 O A:ALA64 4.2 25.9 1.0 HG3 A:GLU80 4.2 53.6 1.0 CG A:LYS65 4.4 40.4 1.0 O A:GLU80 4.4 32.7 1.0 N A:LYS65 4.5 28.7 1.0 CB A:LYS65 4.6 33.8 1.0 HB2 A:LYS65 4.6 34.6 1.0 HG2 A:LYS65 4.6 39.5 1.0 C A:ALA64 4.6 25.0 1.0 C A:GLU80 4.8 40.4 1.0 HB3 A:PRO62 4.8 26.3 1.0 N A:PRO66 4.8 27.6 1.0 CB A:PRO62 4.9 26.6 1.0 HB3 A:GLU80 4.9 46.9 1.0 HA A:GLU80 4.9 41.3 1.0 HG3 A:PRO62 4.9 26.0 1.0 C A:LYS65 4.9 28.6 1.0 CG A:PRO66 4.9 27.9 1.0 HE2 A:LYS65 5.0 51.6 1.0 HG3 A:PRO66 5.0 27.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Mouse Carboxylesterase 2E (CES2E)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Mouse Carboxylesterase 2E (CES2E) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl609 b:37.1 occ:0.97 H B:GLU80 2.6 37.7 1.0 HD3 B:PRO66 2.8 29.5 1.0 HA B:LYS65 2.9 32.1 1.0 HA B:PRO79 3.2 30.9 1.0 O B:HOH903 3.2 28.1 1.0 O B:HOH710 3.3 38.3 1.0 HB2 B:GLU80 3.3 46.4 1.0 N B:GLU80 3.4 37.4 1.0 HG3 B:LYS65 3.5 43.9 1.0 HB3 B:PRO79 3.6 29.6 1.0 CD B:PRO66 3.6 29.1 1.0 HD2 B:PRO66 3.7 29.5 1.0 HB2 B:PRO79 3.7 29.6 1.0 HG2 B:GLU80 3.8 52.2 1.0 CA B:PRO79 3.8 30.5 1.0 CA B:LYS65 3.8 32.2 1.0 CB B:PRO79 3.9 29.6 1.0 O B:ALA64 4.0 24.9 1.0 CB B:GLU80 4.0 45.9 1.0 HB2 B:PRO62 4.0 27.2 1.0 C B:PRO79 4.1 34.4 1.0 CA B:GLU80 4.3 42.2 1.0 CG B:LYS65 4.3 44.9 1.0 CG B:GLU80 4.4 52.3 1.0 N B:LYS65 4.4 27.7 1.0 O B:HOH973 4.5 43.9 1.0 C B:ALA64 4.5 25.8 1.0 CB B:LYS65 4.5 37.3 1.0 O B:GLU80 4.5 37.5 1.0 HG2 B:LYS65 4.5 43.9 1.0 N B:PRO66 4.6 30.7 1.0 CG B:PRO66 4.6 29.2 1.0 HB2 B:LYS65 4.6 37.7 1.0 HB3 B:PRO62 4.6 27.2 1.0 HG3 B:GLU80 4.6 52.2 1.0 HG3 B:PRO66 4.7 28.8 1.0 C B:LYS65 4.7 31.6 1.0 HG2 B:PRO66 4.7 28.8 1.0 CB B:PRO62 4.7 27.1 1.0 O B:HOH730 4.8 22.4 1.0 HB3 B:GLU80 4.8 46.4 1.0 HG3 B:PRO62 4.9 27.0 1.0 C B:GLU80 4.9 39.0 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Mouse Carboxylesterase 2E (CES2E)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Mouse Carboxylesterase 2E (CES2E) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl610 b:27.7 occ:0.94 H B:GLY149 2.4 24.7 1.0 H B:ALA150 2.4 24.9 1.0 H B:ALA229 2.7 22.7 1.0 HB3 B:SER228 2.8 24.2 1.0 OG B:SER228 2.9 24.6 1.0 N B:ALA150 3.2 24.6 1.0 N B:GLY149 3.2 24.6 1.0 CB B:SER228 3.3 24.3 1.0 HB2 B:ALA229 3.4 24.8 1.0 N B:ALA229 3.5 22.2 1.0 HB3 B:ALA229 3.6 24.8 1.0 HA B:ALA150 3.7 25.2 1.0 HA2 B:GLY149 3.7 24.6 1.0 CA B:GLY149 3.8 24.5 1.0 HA3 B:GLY148 3.8 24.8 1.0 CB B:ALA229 3.9 25.3 1.0 HB2 B:SER228 3.9 24.2 1.0 C B:GLY149 4.0 24.8 1.0 CA B:ALA150 4.0 25.6 1.0 HB2 B:ALA150 4.0 25.2 1.0 C B:GLY148 4.3 25.1 1.0 CA B:ALA229 4.3 23.8 1.0 CA B:GLY148 4.4 25.2 1.0 C B:SER228 4.4 22.7 1.0 CA B:SER228 4.5 23.5 1.0 HA2 B:GLY148 4.5 24.8 1.0 HD12 B:LEU262 4.6 29.1 1.0 CB B:ALA150 4.6 25.1 1.0 HB1 B:ALA229 4.7 24.8 1.0 HA3 B:GLY149 4.8 24.6 1.0 HA B:ALA229 4.8 23.2 1.0 NE2 B:HIS457 4.9 27.3 1.0 HA B:SER228 5.0 23.2 1.0

H.Eisner, L.Rammer, L.Riegler-Berket, C.Rodriguez Gamez, T.Sagmeister, G.Chalhoub, L.Liesinger, R.Birner-Gruenberger, T.Pavkov-Keller, G.Haemmerle, G.Schoiswohl, M.Oberer. Crystal Structure of Mouse CES2E To Be Published.