Arsenic in PDB 5wcp: Phosphotriesterase Variant S7

The structure of Phosphotriesterase Variant S7, PDB code: 5wcp 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)	29.48 / 1.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.598, 85.954, 88.443, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 17.5

The structure of Phosphotriesterase Variant S7 also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Arsenic atom in the Phosphotriesterase Variant S7 (pdb code 5wcp). 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 S7, PDB code: 5wcp:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Phosphotriesterase Variant S7


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Phosphotriesterase Variant S7 within 5.0Å range: probe atom residue distance (Å) B Occ A:As2403 b:18.1 occ:0.79 AS A:CAC2403 0.0 18.1 0.8 O1 A:CAC2403 1.7 14.7 0.8 O2 A:CAC2403 1.7 14.6 0.8 C1 A:CAC2403 1.9 18.0 0.8 C2 A:CAC2403 1.9 18.3 0.8 ZN A:ZN2402 3.1 16.6 0.8 ZN A:ZN2401 3.3 16.1 0.9 OQ2 A:KCX169 3.5 17.4 1.0 NE1 A:TRP131 4.0 18.8 1.0 OQ1 A:KCX169 4.0 17.6 1.0 OD2 A:ASP301 4.0 19.0 1.0 NE2 A:HIS230 4.1 21.2 1.0 O2 A:MPD2406 4.2 35.2 0.7 CX A:KCX169 4.2 17.0 1.0 NE2 A:HIS57 4.3 15.8 1.0 OD1 A:ASP301 4.4 17.3 1.0 CE1 A:HIS230 4.5 19.2 1.0 ND1 A:HIS201 4.6 18.3 1.0 CZ2 A:TRP131 4.6 20.8 1.0 CE2 A:TRP131 4.6 18.6 1.0 CG A:ASP301 4.7 14.6 1.0 CE1 A:HIS201 4.8 21.2 1.0 C3 A:MPD2406 4.9 31.7 0.7 NE2 A:HIS55 4.9 14.9 1.0 C2 A:MPD2406 4.9 34.0 0.7 CE1 A:HIS57 4.9 14.9 1.0 O4 A:MPD2406 5.0 30.1 0.7

Arsenic binding site 2 out of 2 in the Phosphotriesterase Variant S7


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Phosphotriesterase Variant S7 within 5.0Å range: probe atom residue distance (Å) B Occ G:As2403 b:21.9 occ:0.81 AS G:CAC2403 0.0 21.9 0.8 O1 G:CAC2403 1.7 19.8 0.8 O2 G:CAC2403 1.7 17.8 0.8 C2 G:CAC2403 1.9 23.5 0.8 C1 G:CAC2403 2.0 18.9 0.8 ZN G:ZN2402 3.1 19.8 0.8 ZN G:ZN2401 3.2 19.1 0.9 OQ1 G:KCX169 3.5 23.2 1.0 OQ2 G:KCX169 3.9 23.2 1.0 NE1 G:TRP131 4.1 22.3 1.0 NE2 G:HIS230 4.1 23.9 1.0 OD2 G:ASP301 4.2 24.6 1.0 CX G:KCX169 4.2 21.9 1.0 NE2 G:HIS57 4.2 20.8 1.0 OD1 G:ASP301 4.4 23.7 1.0 CE1 G:HIS230 4.5 23.7 1.0 CZ2 G:TRP131 4.5 25.9 1.0 ND1 G:HIS201 4.6 24.5 1.0 CE2 G:TRP131 4.6 21.1 1.0 CG G:ASP301 4.7 23.3 1.0 CE1 G:HIS201 4.8 26.0 1.0 CE1 G:HIS57 4.8 21.2 1.0 O G:HOH2654 4.9 49.8 1.0 NE2 G:HIS55 4.9 23.4 1.0

C.M.Miton, E.C.Campbell, C.J.Jackson, N.Tokuriki. Phosphotriesterase Variant S7 To Be Published.