Zinc in PDB 6frz: Phosphotriesterase PTE_A53_7

All present enzymatic activity of Phosphotriesterase PTE_A53_7:
3.1.8.1;

The structure of Phosphotriesterase PTE_A53_7, PDB code: 6frz was solved by O.Dym, N.Aggarwal, S.Albeck, T.Unger, S.Hamer Rogotner, I.Silman, H.Leader, Y.Ashani, M.Goldsmith, P.Greisen, D.Tawfik, L.J.Sussman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.19 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.350, 81.125, 70.583, 90.00, 94.94, 90.00
R / Rfree (%)	16.1 / 18.1

The binding sites of Zinc atom in the Phosphotriesterase PTE_A53_7 (pdb code 6frz). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Phosphotriesterase PTE_A53_7, PDB code: 6frz:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Phosphotriesterase PTE_A53_7


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Phosphotriesterase PTE_A53_7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:16.4 occ:1.00 OAF A:E4T404 1.8 19.2 1.0 NE2 A:HIS57 2.0 16.5 1.0 O2 A:FMT401 2.1 16.9 1.0 NE2 A:HIS55 2.1 13.2 1.0 OD1 A:ASP301 2.3 15.4 1.0 CE1 A:HIS57 3.0 16.2 1.0 CD2 A:HIS55 3.0 14.9 1.0 CD2 A:HIS57 3.0 15.0 1.0 CAL A:E4T404 3.1 16.0 1.0 CE1 A:HIS55 3.1 17.4 1.0 C A:FMT401 3.1 15.8 1.0 CG A:ASP301 3.2 14.7 1.0 OD2 A:ASP301 3.4 18.5 1.0 CAH A:E4T404 3.4 20.2 1.0 O1 A:FMT401 3.5 14.9 1.0 CAI A:E4T404 3.7 29.5 1.0 ZN A:ZN403 3.8 15.4 1.0 OAD A:E4T404 3.9 20.1 1.0 CG2 A:VAL101 4.0 16.3 1.0 CE1 A:HIS230 4.1 16.6 1.0 OAE A:E4T404 4.1 36.5 1.0 ND1 A:HIS57 4.1 14.9 1.0 CG A:HIS57 4.2 14.0 1.0 ND1 A:HIS55 4.2 13.5 1.0 CG A:HIS55 4.2 13.4 1.0 CAJ A:E4T404 4.3 20.5 1.0 NE2 A:HIS230 4.4 14.7 1.0 NZ A:LYS169 4.5 20.3 1.0 CB A:ASP301 4.6 14.3 1.0 CAK A:E4T404 4.6 28.4 1.0 CAA A:E4T404 4.7 27.9 1.0 CAG A:E4T404 4.8 28.8 1.0

Zinc binding site 2 out of 4 in the Phosphotriesterase PTE_A53_7


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Phosphotriesterase PTE_A53_7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:15.4 occ:1.00 OAD A:E4T404 1.9 20.1 1.0 ND1 A:HIS201 2.0 17.6 1.0 NE2 A:HIS230 2.0 14.7 1.0 O1 A:FMT401 2.0 14.9 1.0 OAF A:E4T404 2.8 19.2 1.0 CAL A:E4T404 2.9 16.0 1.0 CE1 A:HIS201 2.9 21.1 1.0 CD2 A:HIS230 3.0 18.3 1.0 CE1 A:HIS230 3.0 16.6 1.0 CG A:HIS201 3.1 17.9 1.0 C A:FMT401 3.1 15.8 1.0 O2 A:FMT401 3.4 16.9 1.0 CB A:HIS201 3.5 15.8 1.0 ZN A:ZN402 3.8 16.4 1.0 CAH A:E4T404 3.8 20.2 1.0 CAJ A:E4T404 3.9 20.5 1.0 NE1 A:TRP131 3.9 20.1 1.0 NE2 A:HIS201 4.0 23.5 1.0 ND1 A:HIS230 4.1 15.6 1.0 CG A:HIS230 4.1 15.6 1.0 CD2 A:HIS201 4.1 18.3 1.0 CE1 A:HIS55 4.2 17.4 1.0 O3 A:TRS405 4.3 46.5 1.0 CA A:HIS201 4.3 15.1 1.0 C3 A:TRS405 4.3 43.3 1.0 NE2 A:HIS55 4.3 13.2 1.0 O A:HOH518 4.5 28.6 1.0 CD1 A:TRP131 4.5 22.8 1.0 NZ A:LYS169 4.6 20.3 1.0 OD2 A:ASP301 4.7 18.5 1.0 CE A:LYS169 4.7 15.4 1.0

Zinc binding site 3 out of 4 in the Phosphotriesterase PTE_A53_7


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Phosphotriesterase PTE_A53_7 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:22.4 occ:1.00 NE2 B:HIS57 2.1 17.3 1.0 NE2 B:HIS55 2.1 15.2 1.0 O2 B:FMT401 2.1 21.6 1.0 OD1 B:ASP301 2.5 18.4 1.0 CE1 B:HIS57 3.0 20.4 1.0 CD2 B:HIS55 3.1 17.8 1.0 CD2 B:HIS57 3.1 18.2 1.0 C B:FMT401 3.2 21.3 1.0 CE1 B:HIS55 3.2 18.7 1.0 CG B:ASP301 3.3 19.5 1.0 OD2 B:ASP301 3.5 18.4 1.0 O1 B:FMT401 3.6 18.1 1.0 ZN B:ZN403 3.7 19.4 1.0 CE1 B:HIS230 4.0 22.5 1.0 CG2 B:VAL101 4.0 16.7 1.0 ND1 B:HIS57 4.1 15.6 1.0 CG B:HIS55 4.2 14.4 1.0 CG B:HIS57 4.2 16.2 1.0 ND1 B:HIS55 4.2 19.0 1.0 NE2 B:HIS230 4.3 18.1 1.0 NZ B:LYS169 4.4 21.6 1.0 CB B:ASP301 4.6 15.2 1.0

Zinc binding site 4 out of 4 in the Phosphotriesterase PTE_A53_7


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Phosphotriesterase PTE_A53_7 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:19.4 occ:1.00 O1 B:FMT401 2.0 18.1 1.0 NE2 B:HIS230 2.0 18.1 1.0 ND1 B:HIS201 2.1 22.7 1.0 CD2 B:HIS230 3.0 19.0 1.0 CE1 B:HIS201 3.0 22.3 1.0 C B:FMT401 3.0 21.3 1.0 CE1 B:HIS230 3.0 22.5 1.0 CG B:HIS201 3.1 20.4 1.0 O2 B:FMT401 3.3 21.6 1.0 CB B:HIS201 3.5 18.3 1.0 ZN B:ZN402 3.7 22.4 1.0 NE1 B:TRP131 3.9 23.0 1.0 ND1 B:HIS230 4.1 19.1 1.0 NE2 B:HIS201 4.1 24.7 1.0 CG B:HIS230 4.1 18.6 1.0 CD2 B:HIS201 4.2 24.0 1.0 CE1 B:HIS55 4.2 18.7 1.0 NE2 B:HIS55 4.3 15.2 1.0 CA B:HIS201 4.3 20.3 1.0 NZ B:LYS169 4.4 21.6 1.0 CD1 B:TRP131 4.5 24.6 1.0 CE B:LYS169 4.7 20.1 1.0 OD2 B:ASP301 4.9 18.4 1.0

O.Dym, N.Aggarwal, S.Albeck, T.Unger, S.Hamer Rogotner, I.Silman, H.Leader, Y.Ashani, M.Goldsmith, P.Greisen, D.Tawfik, L.J.Sussman. Phosphotriesterase PTE_A53_7 To Be Published.