Arsenic in PDB 5wj0: Phosphotriesterase Variant S5+254R

The structure of Phosphotriesterase Variant S5+254R, PDB code: 5wj0 was solved by C.M.Miton, E.C.Campbell, C.J.Jackson, N.Tokuriki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.43 / 1.65
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.327, 85.785, 88.280, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 24.8

The structure of Phosphotriesterase Variant S5+254R also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Arsenic atom in the Phosphotriesterase Variant S5+254R (pdb code 5wj0). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Phosphotriesterase Variant S5+254R, PDB code: 5wj0:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Phosphotriesterase Variant S5+254R


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Phosphotriesterase Variant S5+254R within 5.0Å range: probe atom residue distance (Å) B Occ A:As2406 b:40.0 occ:0.64 AS A:CAC2406 0.0 40.0 0.6 O1 A:CAC2406 1.6 37.7 0.6 O2 A:CAC2406 1.8 11.4 0.6 C2 A:CAC2406 2.0 37.9 0.6 C1 A:CAC2406 2.0 43.4 0.6 ZN A:ZN2402 2.9 19.7 1.0 ZN A:ZN2401 3.3 14.6 0.9 OQ1 A:KCX169 3.5 16.1 1.0 OD2 A:ASP301 3.9 16.1 1.0 OQ2 A:KCX169 4.0 14.1 1.0 NE1 A:TRP131 4.0 15.1 1.0 CX A:KCX169 4.2 13.3 1.0 OD1 A:ASP301 4.2 15.0 1.0 NE2 A:HIS57 4.3 14.8 1.0 NE2 A:HIS230 4.4 14.9 1.0 O A:HOH2583 4.4 31.4 1.0 CZ2 A:TRP131 4.4 20.1 1.0 CG A:ASP301 4.5 15.7 1.0 CE2 A:TRP131 4.5 19.8 1.0 ND1 A:HIS201 4.6 24.9 1.0 CE1 A:HIS230 4.8 20.4 1.0 NH1 A:ARG254 4.8 31.3 1.0 CE1 A:HIS57 4.8 11.0 1.0 CE1 A:HIS201 4.8 23.6 1.0

Arsenic binding site 2 out of 2 in the Phosphotriesterase Variant S5+254R


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Phosphotriesterase Variant S5+254R within 5.0Å range: probe atom residue distance (Å) B Occ G:As406 b:43.4 occ:0.61 AS G:CAC406 0.0 43.4 0.6 O1 G:CAC406 1.6 32.5 0.6 O2 G:CAC406 1.8 19.1 0.6 C2 G:CAC406 2.0 41.1 0.6 C1 G:CAC406 2.0 37.4 0.6 ZN G:ZN404 2.8 28.0 0.9 ZN G:ZN403 3.2 21.9 0.9 OQ2 G:KCX169 3.4 31.0 1.0 OQ1 G:KCX169 3.8 23.8 1.0 OD2 G:ASP301 4.0 29.5 1.0 CX G:KCX169 4.0 29.0 1.0 NE1 G:TRP131 4.1 25.5 1.0 OD1 G:ASP301 4.3 34.7 1.0 NE2 G:HIS57 4.3 22.3 1.0 NE2 G:HIS230 4.3 23.7 1.0 ND1 G:HIS201 4.4 37.5 1.0 CZ2 G:TRP131 4.5 28.9 1.0 CE1 G:HIS201 4.5 35.1 1.0 CE2 G:TRP131 4.6 27.1 1.0 CG G:ASP301 4.6 28.1 1.0 NH1 G:ARG254 4.6 49.5 1.0 CE1 G:HIS230 4.8 29.5 1.0 CE1 G:HIS57 4.8 21.8 1.0

C.M.Miton, E.C.Campbell, C.J.Jackson, N.Tokuriki. Phosphotriesterase Variant S5+254R To Be Published.