Zinc in PDB 6g1j: Phosphotriesterase PTE_C23M_1

All present enzymatic activity of Phosphotriesterase PTE_C23M_1:
3.1.8.1;

The structure of Phosphotriesterase PTE_C23M_1, PDB code: 6g1j 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)	29.70 / 2.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	69.670, 69.670, 186.430, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 20.1

The binding sites of Zinc atom in the Phosphotriesterase PTE_C23M_1 (pdb code 6g1j). 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_C23M_1, PDB code: 6g1j:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Phosphotriesterase PTE_C23M_1


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_1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:14.1 occ:1.00 O A:HOH502 1.9 25.0 1.0 NE2 A:HIS55 2.0 12.4 1.0 NE2 A:HIS57 2.0 12.0 1.0 O1 A:FMT401 2.0 13.0 1.0 OD1 A:ASP301 2.1 14.5 1.0 CD2 A:HIS55 3.0 12.6 1.0 CE1 A:HIS55 3.0 13.3 1.0 CE1 A:HIS57 3.0 13.2 1.0 CD2 A:HIS57 3.0 11.9 1.0 CG A:ASP301 3.1 13.8 1.0 C A:FMT401 3.1 15.7 1.0 C2 A:IMD404 3.1 25.7 1.0 N1 A:IMD404 3.1 23.6 1.0 OD2 A:ASP301 3.4 13.5 1.0 O2 A:FMT401 3.6 13.1 1.0 O A:HOH501 3.9 24.0 1.0 ZN A:ZN403 3.9 14.9 1.0 CG2 A:VAL101 4.0 12.5 1.0 N3 A:IMD404 4.0 32.7 1.0 C5 A:IMD404 4.1 21.4 1.0 NZ A:LYS169 4.1 13.6 1.0 ND1 A:HIS55 4.1 12.2 1.0 CG A:HIS55 4.1 12.6 1.0 ND1 A:HIS57 4.2 12.4 1.0 CG A:HIS57 4.2 11.7 1.0 CE1 A:HIS230 4.2 15.8 1.0 CB A:ASP301 4.4 12.9 1.0 NE2 A:HIS230 4.5 15.2 1.0 C4 A:IMD404 4.5 33.4 1.0 CA A:ASP301 4.9 13.3 1.0

Zinc binding site 2 out of 4 in the Phosphotriesterase PTE_C23M_1


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_1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:14.9 occ:1.00 O2 A:FMT401 2.0 13.1 1.0 O A:HOH501 2.0 24.0 1.0 ND1 A:HIS201 2.0 12.6 1.0 NE2 A:HIS230 2.0 15.2 1.0 O A:HOH502 2.7 25.0 1.0 N1 A:IMD404 2.9 23.6 1.0 CE1 A:HIS201 2.9 12.9 1.0 CD2 A:HIS230 3.0 14.0 1.0 CE1 A:HIS230 3.0 15.8 1.0 C A:FMT401 3.0 15.7 1.0 CG A:HIS201 3.1 12.5 1.0 O1 A:FMT401 3.4 13.0 1.0 CB A:HIS201 3.5 11.8 1.0 C5 A:IMD404 3.8 21.4 1.0 NE1 A:TRP131 3.8 15.1 1.0 C2 A:IMD404 3.9 25.7 1.0 ZN A:ZN402 3.9 14.1 1.0 NE2 A:HIS201 4.1 13.4 1.0 ND1 A:HIS230 4.1 13.2 1.0 CG A:HIS230 4.1 14.2 1.0 NZ A:LYS169 4.2 13.6 1.0 CD2 A:HIS201 4.2 12.4 1.0 CE1 A:HIS55 4.3 13.3 1.0 CA A:HIS201 4.3 11.5 1.0 CD1 A:TRP131 4.4 14.4 1.0 NE2 A:HIS55 4.4 12.4 1.0 CE A:LYS169 4.6 12.9 1.0 OD2 A:ASP301 4.6 13.5 1.0 CE2 A:TRP131 5.0 14.2 1.0 N3 A:IMD404 5.0 32.7 1.0

Zinc binding site 3 out of 4 in the Phosphotriesterase PTE_C23M_1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Phosphotriesterase PTE_C23M_1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn411 b:92.3 occ:1.00 O A:HOH562 4.1 19.6 1.0 CD A:GLU217 4.1 15.6 1.0 OE1 A:GLU217 4.1 15.8 1.0 CG A:PRO223 4.2 14.7 1.0 CD A:PRO223 4.4 14.8 1.0 NH2 A:ARG246 4.4 17.6 1.0 CG A:GLU217 4.4 15.8 1.0 OE2 A:GLU217 4.4 13.7 1.0 O A:ARG246 4.9 16.8 1.0

Zinc binding site 4 out of 4 in the Phosphotriesterase PTE_C23M_1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Phosphotriesterase PTE_C23M_1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn412 b:88.4 occ:1.00 O A:HOH640 3.5 21.9 1.0 CG A:ASP233 3.9 16.7 1.0 NH2 A:ARG280 4.0 20.9 1.0 OD1 A:ASP233 4.1 15.2 1.0 CA A:GLY273 4.1 21.6 1.0 O A:LEU272 4.2 21.2 1.0 OD2 A:ASP233 4.2 16.9 1.0 N A:GLY273 4.2 23.3 1.0 C A:LEU272 4.3 21.8 1.0 CB A:ASP233 4.3 16.1 1.0 O A:LEU271 4.4 18.2 1.0 O A:HOH658 4.5 29.3 1.0 CA A:ASP233 4.9 17.1 1.0 O A:ASP233 4.9 21.5 1.0 O A:HOH565 5.0 15.9 1.0 O A:HOH631 5.0 18.7 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_1 To Be Published.