Zinc in PDB 6fee: Phosphotriesterase PTE_A53_1

The structure of Phosphotriesterase PTE_A53_1, PDB code: 6fee 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)	40.26 / 2.00
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.590, 79.700, 93.670, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 23.2

The binding sites of Zinc atom in the Phosphotriesterase PTE_A53_1 (pdb code 6fee). 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 Phosphotriesterase PTE_A53_1, PDB code: 6fee:

Zinc binding site 1 out of 1 in the Phosphotriesterase PTE_A53_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_A53_1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:39.2 occ:1.00 OD2 A:ASP301 1.9 37.0 1.0 NE2 A:HIS57 2.1 36.4 1.0 ND1 A:HIS55 2.2 31.8 1.0 O A:HIS55 2.4 31.8 1.0 CG A:ASP301 2.7 38.0 1.0 OD1 A:ASP301 2.9 39.5 1.0 CD2 A:HIS57 3.1 38.2 1.0 CE1 A:HIS55 3.1 35.1 1.0 CE1 A:HIS57 3.1 38.2 1.0 CG A:HIS55 3.2 30.3 1.0 C A:HIS55 3.3 33.6 1.0 CB A:HIS55 3.6 31.1 1.0 CA A:HIS55 4.0 32.5 1.0 O A:PHE306 4.0 49.9 1.0 CB A:ASP301 4.2 39.7 1.0 ND1 A:HIS57 4.2 37.8 1.0 CG A:HIS57 4.2 40.6 1.0 NE2 A:HIS55 4.2 36.7 1.0 O A:HOH540 4.2 38.3 1.0 N A:GLU56 4.3 31.6 1.0 CD2 A:HIS55 4.3 33.8 1.0 OG A:SER299 4.4 37.1 1.0 CG2 A:VAL101 4.5 27.6 1.0 O A:HOH531 4.6 41.9 1.0 CA A:GLU56 4.7 32.9 1.0 C A:PHE306 4.7 47.0 1.0 C A:GLU56 4.9 34.2 1.0 O A:ASP253 5.0 63.3 1.0

O.Dym, N.Aggarwal, J.L.Sussman, I.Silman. Crystal Structures of Bacterail Phosphotriesterase Variant with High Catalytic Activity Towards Organophosphate Nerve Agents Developed By Use of Structure-Based Design and Molecular Evolution To Be Published.