Zinc 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:

Calcium

(Ca)

1 atom

The binding sites of Zinc 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 Zinc atom.
In total only one binding site of Zinc was determined in the Pseudomonas Aeruginosa Elastase in Complex with A Thiol Based Inhibitor (R-and S-Configured), PDB code: 7z68:

Zinc 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 Zinc with other atoms in the Zn 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:Zn402 b:16.2 occ:1.00 H181 A:IEV403 1.8 20.0 0.5 H181 A:IEV403 2.0 21.3 0.5 OE2 A:GLU164 2.0 7.6 1.0 NE2 A:HIS140 2.1 10.7 1.0 NE2 A:HIS144 2.1 12.0 1.0 S18 A:IEV403 2.2 16.6 0.5 S18 A:IEV403 2.3 17.8 0.5 H171 A:IEV403 2.4 26.7 0.5 CD A:GLU164 2.8 12.5 1.0 C17 A:IEV403 2.9 22.2 0.5 CE1 A:HIS144 3.0 12.1 1.0 CD2 A:HIS140 3.0 12.2 1.0 HH A:TYR155 3.0 17.2 1.0 HE1 A:HIS144 3.1 14.4 1.0 CE1 A:HIS140 3.1 12.0 1.0 OE1 A:GLU164 3.1 14.7 1.0 H192 A:IEV403 3.1 29.2 0.5 HD2 A:HIS140 3.2 14.6 1.0 CD2 A:HIS144 3.2 12.2 1.0 HE1 A:HIS140 3.3 14.4 1.0 C17 A:IEV403 3.5 24.7 0.5 HD2 A:HIS144 3.5 14.6 1.0 H192 A:IEV403 3.6 27.9 0.5 OH A:TYR155 3.7 14.3 1.0 C19 A:IEV403 3.8 24.3 0.5 C19 A:IEV403 3.9 23.3 0.5 HA A:GLU164 4.0 10.5 1.0 H171 A:IEV403 4.0 29.6 0.5 H191 A:IEV403 4.1 29.2 0.5 ND1 A:HIS144 4.2 12.1 1.0 ND1 A:HIS140 4.2 9.9 1.0 OE1 A:GLU141 4.2 19.4 1.0 CG A:HIS140 4.2 10.4 1.0 CG A:GLU164 4.2 9.5 1.0 HB2 A:SER167 4.3 12.6 1.0 HG2 A:GLU164 4.3 11.4 1.0 CG A:HIS144 4.3 12.4 1.0 NE2 A:HIS223 4.3 15.1 1.0 C16 A:IEV403 4.3 23.9 0.5 HE1 A:TYR155 4.3 18.9 1.0 HB3 A:SER167 4.4 12.6 1.0 C16 A:IEV403 4.5 24.2 0.5 H191 A:IEV403 4.5 27.9 0.5 HO1 A:GOL404 4.5 61.4 1.0 HD2 A:HIS223 4.6 16.9 1.0 HO2 A:GOL404 4.6 67.7 1.0 O26 A:IEV403 4.7 21.2 0.5 CB A:SER167 4.7 10.5 1.0 HG3 A:GLU164 4.7 11.4 1.0 CZ A:TYR155 4.7 15.5 1.0 H251 A:IEV403 4.8 26.1 0.5 CD2 A:HIS223 4.8 14.1 1.0 O A:HOH510 4.8 25.8 1.0 H2 A:GOL404 4.9 47.7 1.0 CA A:GLU164 4.9 8.7 1.0 O26 A:IEV403 4.9 19.5 0.5 CE1 A:TYR155 4.9 15.8 1.0 HD1 A:HIS144 4.9 14.6 1.0 HD1 A:HIS140 4.9 11.8 1.0 OG A:SER167 5.0 10.2 1.0

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