Zinc in PDB 6fwe: Phosphotriesterase PTE_C23_6

All present enzymatic activity of Phosphotriesterase PTE_C23_6:
3.1.8.1;

The structure of Phosphotriesterase PTE_C23_6, PDB code: 6fwe 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)	33.77 / 1.77
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	69.540, 69.540, 185.840, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 18.7

The binding sites of Zinc atom in the Phosphotriesterase PTE_C23_6 (pdb code 6fwe). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Phosphotriesterase PTE_C23_6, PDB code: 6fwe:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Phosphotriesterase PTE_C23_6


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Phosphotriesterase PTE_C23_6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:13.3 occ:1.00 OAF A:E9E404 1.9 13.1 0.8 NE2 A:HIS57 2.0 12.2 1.0 NE2 A:HIS55 2.0 12.0 1.0 O2 A:FMT401 2.1 13.0 1.0 OD1 A:ASP301 2.2 13.5 1.0 CD2 A:HIS55 3.0 12.9 1.0 CE1 A:HIS57 3.0 13.0 1.0 CD2 A:HIS57 3.0 12.0 1.0 CE1 A:HIS55 3.1 14.6 1.0 CG A:ASP301 3.1 11.8 1.0 C A:FMT401 3.1 12.9 1.0 PAO A:E9E404 3.2 24.2 0.8 OD2 A:ASP301 3.4 13.5 1.0 OAL A:E9E404 3.5 27.0 0.8 O1 A:FMT401 3.5 12.0 1.0 ZN A:ZN403 3.9 13.7 1.0 CG2 A:VAL101 4.0 12.7 1.0 CAE A:E9E404 4.1 9.0 0.8 ND1 A:HIS57 4.1 12.5 1.0 CG A:HIS55 4.1 11.7 1.0 CG A:HIS57 4.2 12.1 1.0 ND1 A:HIS55 4.2 10.7 1.0 CE1 A:HIS230 4.2 14.7 1.0 NZ A:LYS169 4.2 12.4 1.0 OAK A:E9E404 4.4 25.9 0.8 CB A:ASP301 4.5 11.6 1.0 NE2 A:HIS230 4.5 12.7 1.0 CAM A:E9E404 4.5 37.7 0.8 CAI A:E9E404 4.8 35.5 0.8 CAD A:E9E404 5.0 34.0 0.8

Zinc binding site 2 out of 2 in the Phosphotriesterase PTE_C23_6


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Phosphotriesterase PTE_C23_6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:13.7 occ:1.00 O1 A:FMT401 1.9 12.0 1.0 NE2 A:HIS230 2.0 12.7 1.0 ND1 A:HIS201 2.0 12.4 1.0 CAE A:E9E404 2.1 9.0 0.8 OAF A:E9E404 2.8 13.1 0.8 CE1 A:HIS201 3.0 14.4 1.0 CD2 A:HIS230 3.0 13.5 1.0 CE1 A:HIS230 3.0 14.7 1.0 PAO A:E9E404 3.0 24.2 0.8 CG A:HIS201 3.1 12.7 1.0 C A:FMT401 3.1 12.9 1.0 O2 A:FMT401 3.4 13.0 1.0 CB A:HIS201 3.5 11.3 1.0 NE1 A:TRP131 3.8 16.8 1.0 ZN A:ZN402 3.9 13.3 1.0 NE2 A:HIS201 4.1 13.2 1.0 ND1 A:HIS230 4.1 12.1 1.0 OAL A:E9E404 4.2 27.0 0.8 CG A:HIS230 4.2 11.8 1.0 O A:HOH715 4.2 29.7 1.0 CD2 A:HIS201 4.2 13.8 1.0 NZ A:LYS169 4.2 12.4 1.0 OAK A:E9E404 4.2 25.9 0.8 CE1 A:HIS55 4.3 14.6 1.0 CA A:HIS201 4.3 10.2 1.0 CD1 A:TRP131 4.3 14.6 1.0 NE2 A:HIS55 4.4 12.0 1.0 CE A:LYS169 4.6 12.8 1.0 OD2 A:ASP301 4.8 13.5 1.0 CE2 A:TRP131 4.9 15.1 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_C23_6 To Be Published.