Arsenic in PDB 5w6b: Phosphotriesterase Variant S1

The structure of Phosphotriesterase Variant S1, PDB code: 5w6b 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)	30.74 / 1.74
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.660, 85.790, 88.170, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 19.8

The structure of Phosphotriesterase Variant S1 also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Arsenic atom in the Phosphotriesterase Variant S1 (pdb code 5w6b). 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 S1, PDB code: 5w6b:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Phosphotriesterase Variant S1


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Phosphotriesterase Variant S1 within 5.0Å range: probe atom residue distance (Å) B Occ A:As2403 b:17.2 occ:0.80 AS A:CAC2403 0.0 17.2 0.8 O1 A:CAC2403 1.7 15.2 0.8 O2 A:CAC2403 1.7 14.7 0.8 C2 A:CAC2403 1.9 18.3 0.8 C1 A:CAC2403 1.9 14.4 0.8 ZN A:ZN2402 3.1 13.6 0.8 ZN A:ZN2401 3.3 13.2 0.9 OQ2 A:KCX169 3.5 15.1 1.0 O A:HOH2661 3.8 34.1 1.0 OD2 A:ASP301 3.9 15.0 1.0 OQ1 A:KCX169 4.0 14.8 1.0 NE1 A:TRP131 4.1 14.8 1.0 CX A:KCX169 4.2 14.2 1.0 NE2 A:HIS230 4.3 16.6 1.0 OD1 A:ASP301 4.3 13.4 1.0 NE2 A:HIS57 4.4 11.5 1.0 CZ2 A:TRP131 4.5 20.0 1.0 CG A:ASP301 4.6 15.9 1.0 CE2 A:TRP131 4.6 16.0 1.0 ND1 A:HIS201 4.6 18.1 1.0 CE1 A:HIS230 4.6 15.5 1.0 O A:HOH2653 4.9 30.6 1.0 CE1 A:HIS201 4.9 22.2 1.0 CE1 A:HIS57 5.0 11.1 1.0 NE2 A:HIS55 5.0 13.6 1.0

Arsenic binding site 2 out of 2 in the Phosphotriesterase Variant S1


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Phosphotriesterase Variant S1 within 5.0Å range: probe atom residue distance (Å) B Occ G:As2403 b:24.6 occ:0.87 AS G:CAC2403 0.0 24.6 0.9 O1 G:CAC2403 1.7 22.7 0.9 O2 G:CAC2403 1.8 23.7 0.9 C2 G:CAC2403 1.9 30.7 0.9 C1 G:CAC2403 1.9 26.2 0.9 ZN G:ZN2402 3.1 23.0 0.9 ZN G:ZN2401 3.3 22.4 1.0 OQ1 G:KCX169 3.6 20.1 1.0 OD2 G:ASP301 3.9 22.0 1.0 OQ2 G:KCX169 4.0 19.1 1.0 NE2 G:HIS230 4.2 22.4 1.0 CX G:KCX169 4.2 19.9 1.0 NE2 G:HIS57 4.3 19.4 1.0 NE1 G:TRP131 4.3 22.3 1.0 OD1 G:ASP301 4.3 22.9 1.0 CG G:ASP301 4.6 24.3 1.0 CE1 G:HIS230 4.6 25.4 1.0 ND1 G:HIS201 4.6 24.1 1.0 CZ2 G:TRP131 4.6 26.5 1.0 CE2 G:TRP131 4.8 23.7 1.0 CE1 G:HIS201 4.9 26.8 1.0 CE1 G:HIS57 4.9 20.0 1.0 NE2 G:HIS55 5.0 21.0 1.0

C.M.Miton, E.C.Campbell, C.J.Jackson, N.Tokuriki. Phosphotriesterase Variant S1 To Be Published.