Chlorine in PDB 2pbj: Gsh-Heme Bound Microsomal Prostaglandin E Synthase

All present enzymatic activity of Gsh-Heme Bound Microsomal Prostaglandin E Synthase:
5.3.99.3;

The structure of Gsh-Heme Bound Microsomal Prostaglandin E Synthase, PDB code: 2pbj was solved by F.Takusagawa, T.Yamada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	127.000, 122.490, 110.970, 90.00, 111.00, 90.00
R / Rfree (%)	24.2 / 26.9

The structure of Gsh-Heme Bound Microsomal Prostaglandin E Synthase also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the Gsh-Heme Bound Microsomal Prostaglandin E Synthase (pdb code 2pbj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Gsh-Heme Bound Microsomal Prostaglandin E Synthase, PDB code: 2pbj:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Gsh-Heme Bound Microsomal Prostaglandin E Synthase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Gsh-Heme Bound Microsomal Prostaglandin E Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl475 b:16.0 occ:1.00 OH D:TYR287 2.8 31.3 1.0 NH2 A:ARG137 3.1 28.3 1.0 CD A:ARG146 3.3 21.4 1.0 NH1 A:ARG146 3.3 16.1 1.0 NE A:ARG137 3.8 29.8 1.0 CZ A:ARG137 3.9 28.4 1.0 CZ D:TYR287 4.0 32.2 1.0 CD D:PRO254 4.1 27.2 1.0 NE A:ARG146 4.2 20.5 1.0 CG A:ARG146 4.2 22.0 1.0 CZ A:ARG146 4.2 19.6 1.0 CB A:ARG146 4.4 22.2 1.0 CE2 D:TYR287 4.4 32.5 1.0 O D:ARG252 4.4 31.0 1.0 OG1 D:THR253 4.5 25.8 1.0 CG D:PRO254 5.0 26.7 1.0

Chlorine binding site 2 out of 4 in the Gsh-Heme Bound Microsomal Prostaglandin E Synthase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Gsh-Heme Bound Microsomal Prostaglandin E Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl475 b:17.0 occ:1.00 NH2 B:ARG137 2.9 31.6 1.0 CD B:ARG146 3.5 21.7 1.0 NH1 B:ARG146 3.5 15.7 1.0 NE B:ARG137 3.7 30.6 1.0 CZ B:ARG137 3.8 31.1 1.0 CG B:ARG146 4.4 22.6 1.0 CZ B:ARG146 4.4 16.8 1.0 NE B:ARG146 4.4 18.5 1.0 CB B:ARG146 4.5 22.8 1.0

Chlorine binding site 3 out of 4 in the Gsh-Heme Bound Microsomal Prostaglandin E Synthase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Gsh-Heme Bound Microsomal Prostaglandin E Synthase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl475 b:18.0 occ:1.00 OH B:TYR287 2.9 33.7 1.0 NH2 C:ARG137 3.0 29.8 1.0 CD C:ARG146 3.4 22.8 1.0 NH1 C:ARG146 3.5 19.7 1.0 NE C:ARG137 3.9 31.3 1.0 CZ C:ARG137 3.9 30.5 1.0 CZ B:TYR287 4.1 33.5 1.0 CD B:PRO254 4.2 26.4 1.0 O B:ARG252 4.3 28.2 1.0 CG C:ARG146 4.3 21.9 1.0 NE C:ARG146 4.3 21.0 1.0 CZ C:ARG146 4.4 21.2 1.0 OG1 B:THR253 4.4 24.0 1.0 CB C:ARG146 4.5 22.5 1.0 CE2 B:TYR287 4.5 33.2 1.0 CA B:THR253 5.0 26.1 1.0

Chlorine binding site 4 out of 4 in the Gsh-Heme Bound Microsomal Prostaglandin E Synthase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Gsh-Heme Bound Microsomal Prostaglandin E Synthase within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl475 b:18.9 occ:1.00 NH2 D:ARG137 2.9 33.0 1.0 NH1 D:ARG146 3.5 17.5 1.0 CD D:ARG146 3.5 23.7 1.0 NE D:ARG137 3.8 31.8 1.0 CZ D:ARG137 3.8 33.0 1.0 CZ D:ARG146 4.4 18.6 1.0 CG D:ARG146 4.4 23.8 1.0 NE D:ARG146 4.4 20.8 1.0 CB D:ARG146 4.6 23.5 1.0

T.Yamada, F.Takusagawa. PGH2 Degradation Pathway Catalyzed By Gsh-Heme Complex Bound Microsomal Prostaglandin E2 Synthase Type 2: the First Example of A Dual-Function Enzyme. Biochemistry V. 46 8414 2007.
ISSN: ISSN 0006-2960
PubMed: 17585783
DOI: 10.1021/BI700605M