Chlorine in PDB 3vi7: Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures

All present enzymatic activity of Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures:
2.5.1.18; 5.3.99.2;

The structure of Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures, PDB code: 3vi7 was solved by Y.Kado, T.Inoue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.85 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.043, 47.359, 184.941, 90.00, 97.41, 90.00
R / Rfree (%)	17.4 / 23.3

The structure of Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures (pdb code 3vi7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures, PDB code: 3vi7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:0.2 occ:1.00 CL A:CBD201 0.0 0.2 1.0 CC2 A:CBD201 1.8 0.1 1.0 O A:HOH288 2.4 39.4 1.0 NC1 A:CBD201 2.7 0.1 1.0 NC3 A:CBD201 2.8 0.1 1.0 O A:ALA105 3.3 34.3 1.0 C A:ALA105 3.4 32.5 1.0 CD A:LYS107 3.5 46.9 1.0 CA A:ALA105 3.5 30.9 1.0 O A:GLU106 3.7 33.6 1.0 O A:TRP104 3.7 25.2 1.0 CE A:LYS107 3.8 50.9 1.0 CC6 A:CBD201 4.0 0.6 1.0 CC4 A:CBD201 4.0 0.4 1.0 C A:GLU106 4.2 34.1 1.0 N A:GLU106 4.2 32.3 1.0 CB A:ALA105 4.4 31.4 1.0 NC5 A:CBD201 4.5 0.6 1.0 N A:ALA105 4.5 27.1 1.0 C A:TRP104 4.6 25.6 1.0 N A:LYS107 4.7 36.0 1.0 NZ A:LYS107 4.8 51.6 1.0 CA A:GLU106 4.8 33.9 1.0 CA A:LYS107 4.8 37.9 1.0 CG A:LYS107 5.0 43.7 1.0

Chlorine binding site 2 out of 2 in the Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:0.4 occ:1.00 CL B:CBD401 0.0 0.4 1.0 CC2 B:CBD401 1.8 0.1 1.0 NC3 B:CBD401 2.7 0.9 1.0 NC1 B:CBD401 2.8 0.5 1.0 O B:ALA305 2.9 33.9 1.0 C B:ALA305 3.3 31.9 1.0 O B:TRP304 3.4 24.7 1.0 O B:GLU306 3.4 33.7 1.0 CA B:ALA305 3.7 30.4 1.0 NZ B:LYS312 3.9 27.7 1.0 CC4 B:CBD401 4.0 0.9 1.0 C B:GLU306 4.0 34.0 1.0 CC6 B:CBD401 4.0 98.1 1.0 N B:GLU306 4.1 32.6 1.0 C B:TRP304 4.3 25.0 1.0 N B:ALA305 4.4 28.2 1.0 NC5 B:CBD401 4.5 0.7 1.0 CA B:GLU306 4.6 32.8 1.0 N B:LYS307 4.7 35.5 1.0 CA B:LYS307 4.8 36.9 1.0 CB B:ALA305 5.0 30.6 1.0 CE B:LYS312 5.0 29.6 1.0

Y.Kado, K.Aritake, N.Uodome, Y.Okano, N.Okazaki, H.Matsumura, Y.Urade, T.Inoue. Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures J.Biochem. V. 151 447 2012.
ISSN: ISSN 0021-924X
PubMed: 22418579
DOI: 10.1093/JB/MVS024