Arsenic in PDB 5wiz: Phosphotriesterase Variant S5

The structure of Phosphotriesterase Variant S5, PDB code: 5wiz 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)	28.95 / 1.96
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.248, 85.688, 88.484, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 23.3

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

Zinc

(Zn)

4 atoms

The binding sites of Arsenic atom in the Phosphotriesterase Variant S5 (pdb code 5wiz). 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, PDB code: 5wiz:
Jump to Arsenic binding site number: 1; 2;

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:As2404 b:35.5 occ:0.74 AS A:CAC2404 0.0 35.5 0.7 O1 A:CAC2404 1.7 17.4 0.7 O2 A:CAC2404 1.8 33.0 0.7 C1 A:CAC2404 1.9 32.9 0.7 C2 A:CAC2404 1.9 26.8 0.7 ZN A:ZN2402 3.0 27.9 0.7 ZN A:ZN2401 3.3 20.5 0.9 OQ1 A:KCX169 3.7 26.2 1.0 O A:HOH2573 3.9 44.8 1.0 OD2 A:ASP301 4.0 28.5 1.0 OQ2 A:KCX169 4.0 26.4 1.0 NE1 A:TRP131 4.1 27.1 1.0 CX A:KCX169 4.3 24.5 1.0 NE2 A:HIS230 4.3 31.4 1.0 OD1 A:ASP301 4.4 24.5 1.0 ND1 A:HIS201 4.4 27.4 1.0 NE2 A:HIS57 4.5 21.3 1.0 CZ2 A:TRP131 4.5 28.0 1.0 CE2 A:TRP131 4.6 27.7 1.0 CE1 A:HIS201 4.6 28.7 1.0 CG A:ASP301 4.6 26.7 1.0 CE1 A:HIS230 4.7 32.1 1.0

Arsenic binding site 2 out of 2 in the Phosphotriesterase Variant S5


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 within 5.0Å range: probe atom residue distance (Å) B Occ G:As2405 b:63.4 occ:0.84 AS G:CAC2405 0.0 63.4 0.8 O1 G:CAC2405 1.7 37.6 0.8 O2 G:CAC2405 1.8 16.7 0.8 C2 G:CAC2405 1.9 67.8 0.8 C1 G:CAC2405 1.9 58.3 0.8 ZN G:ZN2402 2.9 31.9 0.8 ZN G:ZN2401 3.1 29.8 0.9 OD2 G:ASP301 3.7 38.7 1.0 NE2 G:HIS230 3.9 33.8 1.0 OD1 G:ASP301 3.9 36.7 1.0 OQ2 G:KCX169 4.1 30.4 1.0 O G:HOH2504 4.1 41.5 1.0 CG G:ASP301 4.2 36.9 1.0 OQ1 G:KCX169 4.3 30.8 1.0 CE1 G:HIS230 4.3 33.2 1.0 NE2 G:HIS57 4.4 29.3 1.0 ND1 G:HIS201 4.5 34.1 1.0 CX G:KCX169 4.7 30.3 1.0 NE2 G:HIS55 4.7 31.3 1.0 CE1 G:HIS201 4.7 35.4 1.0 NE1 G:TRP131 4.7 32.4 1.0 CD2 G:HIS230 5.0 33.7 1.0

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