Calcium in PDB 7z68: Pseudomonas Aeruginosa Elastase in Complex with A Thiol Based Inhibitor (R-and S-Configured)

The structure of Pseudomonas Aeruginosa Elastase in Complex with A Thiol Based Inhibitor (R-and S-Configured), PDB code: 7z68 was solved by A.Klein, A.Hirsch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.16 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.316, 92.527, 40.745, 90, 114.23, 90
R / Rfree (%)	15.7 / 19.5

The structure of Pseudomonas Aeruginosa Elastase in Complex with A Thiol Based Inhibitor (R-and S-Configured) also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Pseudomonas Aeruginosa Elastase in Complex with A Thiol Based Inhibitor (R-and S-Configured) (pdb code 7z68). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Pseudomonas Aeruginosa Elastase in Complex with A Thiol Based Inhibitor (R-and S-Configured), PDB code: 7z68:

Calcium binding site 1 out of 1 in the Pseudomonas Aeruginosa Elastase in Complex with A Thiol Based Inhibitor (R-and S-Configured)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Pseudomonas Aeruginosa Elastase in Complex with A Thiol Based Inhibitor (R-and S-Configured) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:41.6 occ:1.00 OD2 A:ASP183 2.6 13.8 1.0 O A:HOH533 2.7 17.7 1.0 HB3 A:TYR188 2.8 16.3 1.0 O A:HOH657 2.9 24.2 1.0 OE2 A:GLU175 2.9 16.0 1.0 OD1 A:ASP183 3.0 10.7 1.0 CG A:ASP183 3.2 12.1 1.0 O A:LEU185 3.3 11.7 1.0 OD2 A:ASP136 3.4 12.6 1.0 H A:TYR188 3.5 14.7 1.0 H A:ASP189 3.6 14.3 1.0 CD A:GLU175 3.6 17.3 1.0 OE1 A:GLU175 3.6 15.9 1.0 CB A:TYR188 3.8 13.6 1.0 OD1 A:ASP189 3.8 19.7 1.0 HB2 A:LEU185 3.9 14.0 1.0 CG A:ASP189 4.0 17.6 1.0 HB2 A:TYR188 4.0 16.3 1.0 N A:TYR188 4.1 12.2 1.0 HD2 A:TYR188 4.1 18.0 1.0 OD2 A:ASP189 4.1 17.4 1.0 CG A:ASP136 4.1 16.6 1.0 O A:HOH604 4.2 19.0 1.0 H A:GLY187 4.2 13.5 1.0 N A:ASP189 4.3 11.9 1.0 C A:LEU185 4.4 10.9 1.0 CA A:TYR188 4.4 10.2 1.0 OD1 A:ASP136 4.5 19.7 1.0 H A:LEU185 4.5 13.4 1.0 H A:ASP183 4.6 15.1 1.0 CB A:ASP183 4.6 12.9 1.0 CG A:TYR188 4.7 11.8 1.0 OE2 A:GLU172 4.7 11.3 1.0 CD2 A:TYR188 4.7 15.0 1.0 N A:GLY187 4.7 11.3 1.0 CB A:LEU185 4.8 11.7 1.0 O A:HOH592 4.8 23.0 1.0 HB2 A:ASP189 4.8 15.3 1.0 C A:TYR188 4.9 10.6 1.0 HB3 A:ASP183 4.9 15.5 1.0 HB3 A:ASP136 4.9 17.0 1.0 CB A:ASP189 4.9 12.8 1.0 HG2 A:GLU175 4.9 13.3 1.0 CG A:GLU175 4.9 11.0 1.0 C A:GLY187 5.0 12.1 1.0

A.Klein, A.Hirsch. Pseudomonas Aeruginosa Elastase in Complex with R To Be Published.