Calcium 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:

Chlorine

(Cl)

2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures, PDB code: 3vi7:
Jump to Calcium binding site number: 1; 2;

Calcium 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 Calcium with other atoms in the Ca binding site number 1 of Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca902 b:43.2 occ:1.00 O B:HOH42 1.9 18.9 1.0 O C:HOH336 2.6 28.6 1.0 O C:HOH165 2.6 24.6 1.0 O B:HOH462 2.6 36.1 1.0 OD2 C:ASP496 2.8 20.3 1.0 O B:HOH505 2.9 28.5 1.0 O C:HOH296 3.9 24.7 1.0 CG C:ASP496 3.9 19.6 1.0 O B:HOH448 4.2 29.1 1.0 CB C:ASP496 4.3 15.7 1.0 OD2 B:ASP297 4.3 13.5 1.0 OD2 B:ASP296 4.3 14.4 1.0 OD2 C:ASP497 4.4 18.4 1.0 OD2 C:ASP493 4.4 11.8 1.0 OD2 B:ASP293 4.7 11.0 1.0 CD1 C:LEU465 4.7 17.6 1.0 CG C:ASP493 4.8 15.1 1.0 CG B:ASP293 4.9 13.0 1.0 O B:HOH447 4.9 35.7 1.0 OD1 C:ASP496 4.9 24.4 1.0 OD1 B:ASP293 5.0 15.6 1.0

Calcium 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 Calcium with other atoms in the Ca binding site number 2 of Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca901 b:37.8 occ:1.00 O A:HOH239 2.0 29.3 1.0 O A:HOH302 2.5 40.6 1.0 O D:HOH835 2.5 37.4 1.0 O D:HOH255 2.7 29.4 1.0 OD2 D:ASP696 2.7 21.5 1.0 O A:HOH345 3.3 29.1 1.0 O D:HOH832 3.5 47.6 1.0 CG D:ASP696 3.8 20.6 1.0 OD2 A:ASP97 4.1 18.9 1.0 CB D:ASP696 4.2 16.3 1.0 CD1 D:LEU665 4.4 15.9 1.0 OD2 D:ASP693 4.5 17.6 1.0 OD1 A:ASP93 4.5 17.3 1.0 O A:HOH489 4.6 25.6 1.0 OD2 A:ASP96 4.6 18.6 1.0 CG A:ASP93 4.7 12.8 1.0 OD2 A:ASP93 4.7 10.1 1.0 OD2 D:ASP697 4.8 18.1 1.0 OD1 D:ASP696 4.8 26.9 1.0 CG D:ASP693 4.9 17.4 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