Chlorine in PDB 4q82: Crystal Structure of Phospholipase/Carboxylesterase From Haliangium Ochraceum

The structure of Crystal Structure of Phospholipase/Carboxylesterase From Haliangium Ochraceum, PDB code: 4q82 was solved by Y.Kim, C.Hatzos-Skintges, M.Endres, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.30 / 1.85
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.935, 146.084, 68.720, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 17.5

The binding sites of Chlorine atom in the Crystal Structure of Phospholipase/Carboxylesterase From Haliangium Ochraceum (pdb code 4q82). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Phospholipase/Carboxylesterase From Haliangium Ochraceum, PDB code: 4q82:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of Phospholipase/Carboxylesterase From Haliangium Ochraceum


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 Phospholipase/Carboxylesterase From Haliangium Ochraceum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:18.7 occ:1.00 O B:HOH433 3.1 23.2 1.0 O A:HOH425 3.1 19.6 1.0 NH1 B:ARG273 3.3 18.2 1.0 NH1 A:ARG273 3.4 18.0 1.0 CB A:ALA279 3.7 11.0 1.0 CB B:ALA279 3.7 11.9 1.0 CA A:ALA279 3.8 11.4 1.0 CA B:ALA279 3.8 13.3 1.0 CD B:ARG273 3.8 14.1 1.0 CD A:ARG273 3.8 13.0 1.0 CZ B:ARG273 4.1 17.8 1.0 CZ A:ARG273 4.2 16.8 1.0 CB A:ARG273 4.3 10.9 1.0 NE B:ARG273 4.3 15.4 1.0 CB B:ARG273 4.3 12.2 1.0 N B:ALA279 4.3 12.5 1.0 N A:ALA279 4.3 12.3 1.0 NE A:ARG273 4.3 14.0 1.0 O B:SER278 4.4 14.4 1.0 O A:SER278 4.4 14.6 1.0 CG B:ARG273 4.6 12.4 1.0 C A:SER278 4.6 13.4 1.0 C B:SER278 4.6 13.8 1.0 CG A:ARG273 4.6 10.5 1.0 O A:HOH625 4.8 48.0 1.0 OG A:SER278 4.9 13.3 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of Phospholipase/Carboxylesterase From Haliangium Ochraceum


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 Phospholipase/Carboxylesterase From Haliangium Ochraceum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:73.1 occ:1.00 NH2 A:ARG125 3.5 32.2 1.0 NH1 A:ARG125 3.5 31.4 1.0 NH2 A:ARG129 3.6 41.5 1.0 CZ A:ARG125 3.9 29.6 1.0 CZ A:ARG129 4.4 40.0 1.0 NH1 A:ARG129 4.5 42.3 1.0 O A:HOH566 4.7 40.5 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure of Phospholipase/Carboxylesterase From Haliangium Ochraceum


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 Phospholipase/Carboxylesterase From Haliangium Ochraceum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:69.7 occ:1.00 N A:GLY148 3.4 31.4 1.0 O A:HOH523 3.8 32.2 1.0 O A:HOH588 4.0 27.3 1.0 CA A:GLY147 4.1 34.9 1.0 CA A:GLY148 4.3 30.8 1.0 C A:GLY147 4.3 32.8 1.0 N A:GLY149 5.0 25.1 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of Phospholipase/Carboxylesterase From Haliangium Ochraceum


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 Phospholipase/Carboxylesterase From Haliangium Ochraceum within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:68.6 occ:1.00 NH2 B:ARG129 3.4 46.8 1.0 NH2 B:ARG125 3.7 35.0 1.0 NH1 B:ARG125 3.8 33.2 1.0 CZ B:ARG125 4.3 31.8 1.0 O B:HOH520 4.3 41.9 1.0 CZ B:ARG129 4.3 44.8 1.0 NH1 B:ARG129 4.5 47.6 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of Phospholipase/Carboxylesterase From Haliangium Ochraceum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Phospholipase/Carboxylesterase From Haliangium Ochraceum within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:52.1 occ:1.00 N B:ALA153 3.3 24.1 1.0 O B:HOH439 3.4 28.2 1.0 O B:HOH465 3.6 26.4 1.0 CA B:SER152 3.8 24.4 1.0 CB B:SER152 3.9 26.2 1.0 CB B:ALA153 4.0 24.9 1.0 C B:SER152 4.1 23.9 1.0 CB B:ASN188 4.2 24.2 1.0 CA B:ALA153 4.3 23.8 1.0 O B:HOH489 4.4 26.7 1.0 ND2 B:ASN188 4.5 27.5 1.0 CG B:ASN188 4.7 26.8 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of Phospholipase/Carboxylesterase From Haliangium Ochraceum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Phospholipase/Carboxylesterase From Haliangium Ochraceum within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:45.4 occ:1.00 NH1 B:ARG273 3.1 18.2 1.0 O A:HOH425 3.2 19.6 1.0 NH2 B:ARG273 3.4 18.8 1.0 O B:HOH481 3.5 24.4 1.0 CZ B:ARG273 3.7 17.8 1.0 CG2 B:VAL266 3.9 18.9 1.0 O A:HOH625 4.0 48.0 1.0 CB A:SER278 4.0 14.1 1.0 OG A:SER278 4.3 13.3 1.0 O A:HOH442 5.0 20.8 1.0

Y.Kim, C.Hatzos-Skintges, M.Endres, A.Joachimiak. Crystal Structure of Phospholipase/Carboxylesterase From Haliangium Ochraceum To Be Published.