Zinc in PDB 6g3m: Phosphotriesterase PTE_C23M_4

All present enzymatic activity of Phosphotriesterase PTE_C23M_4:
3.1.8.1;

The structure of Phosphotriesterase PTE_C23M_4, PDB code: 6g3m 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)	22.96 / 1.67
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	69.930, 69.930, 185.810, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 18

The structure of Phosphotriesterase PTE_C23M_4 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Zinc atom in the Phosphotriesterase PTE_C23M_4 (pdb code 6g3m). 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_C23M_4, PDB code: 6g3m:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Phosphotriesterase PTE_C23M_4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Phosphotriesterase PTE_C23M_4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:14.5 occ:1.00 NE2 A:HIS55 2.0 12.3 1.0 NE2 A:HIS57 2.0 12.0 1.0 O2 A:FMT401 2.0 13.5 1.0 O1 A:VX404 2.2 14.4 1.0 OD1 A:ASP301 2.4 15.0 1.0 CD2 A:HIS55 3.0 14.0 1.0 CE1 A:HIS57 3.0 14.7 1.0 CE1 A:HIS55 3.0 13.2 1.0 C A:FMT401 3.0 13.7 1.0 CD2 A:HIS57 3.1 12.8 1.0 P1 A:VX404 3.2 14.9 1.0 CG A:ASP301 3.2 12.9 1.0 O3 A:VX404 3.4 22.8 1.0 OD2 A:ASP301 3.5 14.7 1.0 O1 A:FMT401 3.5 13.1 1.0 ZN A:ZN403 3.9 13.8 1.0 CG2 A:VAL101 3.9 13.2 1.0 C1 A:VX404 4.0 7.9 1.0 NZ A:LYS169 4.0 14.5 1.0 ND1 A:HIS57 4.1 12.8 1.0 CG A:HIS55 4.1 12.2 1.0 ND1 A:HIS55 4.1 12.0 1.0 CE1 A:HIS230 4.1 12.5 1.0 O2 A:VX404 4.2 16.7 1.0 CG A:HIS57 4.2 13.7 1.0 NE2 A:HIS230 4.5 12.5 1.0 CB A:ASP301 4.6 13.4 1.0

Zinc binding site 2 out of 2 in the Phosphotriesterase PTE_C23M_4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Phosphotriesterase PTE_C23M_4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:13.8 occ:1.00 O1 A:FMT401 1.9 13.1 1.0 ND1 A:HIS201 2.0 11.7 1.0 NE2 A:HIS230 2.0 12.5 1.0 C1 A:VX404 2.0 7.9 1.0 CE1 A:HIS201 2.9 13.0 1.0 C A:FMT401 2.9 13.7 1.0 O1 A:VX404 2.9 14.4 1.0 CE1 A:HIS230 3.0 12.5 1.0 P1 A:VX404 3.0 14.9 1.0 CD2 A:HIS230 3.0 13.5 1.0 CG A:HIS201 3.0 13.3 1.0 O2 A:FMT401 3.3 13.5 1.0 CB A:HIS201 3.4 12.6 1.0 NE1 A:TRP131 3.7 14.3 1.0 O2 A:VX404 3.8 16.7 1.0 ZN A:ZN402 3.9 14.5 1.0 C3 A:VX404 4.0 23.0 1.0 NE2 A:HIS201 4.1 14.6 1.0 O3 A:VX404 4.1 22.8 1.0 CG A:HIS230 4.1 11.5 1.0 ND1 A:HIS230 4.1 13.4 1.0 CD2 A:HIS201 4.1 14.2 1.0 NZ A:LYS169 4.1 14.5 1.0 CD1 A:TRP131 4.2 13.9 1.0 CE1 A:HIS55 4.3 13.2 1.0 CA A:HIS201 4.3 13.0 1.0 C2 A:VX404 4.3 36.9 1.0 NE2 A:HIS55 4.4 12.3 1.0 CE A:LYS169 4.5 14.5 1.0 OD2 A:ASP301 4.9 14.7 1.0 CE2 A:TRP131 5.0 13.5 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_C23M_4 To Be Published.