Arsenic in PDB 5wcw: Phosphotriesterase Variant S4

The structure of Phosphotriesterase Variant S4, PDB code: 5wcw 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)	39.25 / 1.46
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.513, 85.887, 88.370, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 23.4

The structure of Phosphotriesterase Variant S4 also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Arsenic atom in the Phosphotriesterase Variant S4 (pdb code 5wcw). 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 S4, PDB code: 5wcw:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Phosphotriesterase Variant S4


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Phosphotriesterase Variant S4 within 5.0Å range: probe atom residue distance (Å) B Occ A:As2405 b:18.3 occ:0.86 AS A:CAC2405 0.0 18.3 0.9 O1 A:CAC2405 1.7 21.0 0.9 O2 A:CAC2405 1.8 15.4 0.9 C2 A:CAC2405 1.9 14.8 0.9 C1 A:CAC2405 1.9 17.2 0.9 ZN A:ZN2402 3.0 16.8 0.9 ZN A:ZN2401 3.3 14.9 1.0 OQ1 A:KCX169 3.5 15.2 1.0 OD2 A:ASP301 3.8 16.5 1.0 OQ2 A:KCX169 3.9 14.7 1.0 O A:HOH2628 4.1 38.1 1.0 NE1 A:TRP131 4.1 16.7 1.0 NE2 A:HIS230 4.1 16.4 1.0 CX A:KCX169 4.1 14.3 1.0 O A:HOH2633 4.3 37.1 1.0 OD1 A:ASP301 4.3 15.0 1.0 NE2 A:HIS57 4.4 13.9 1.0 CE1 A:HIS230 4.5 22.6 1.0 CG A:ASP301 4.5 14.8 1.0 CZ2 A:TRP131 4.6 15.9 1.0 ND1 A:HIS201 4.6 18.5 1.0 CE2 A:TRP131 4.6 17.9 1.0 CE1 A:HIS201 4.9 16.9 1.0 NE2 A:HIS55 4.9 12.8 1.0

Arsenic binding site 2 out of 2 in the Phosphotriesterase Variant S4


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Phosphotriesterase Variant S4 within 5.0Å range: probe atom residue distance (Å) B Occ G:As2404 b:33.2 occ:0.70 AS G:CAC2404 0.0 33.2 0.7 O1 G:CAC2404 1.6 34.1 0.7 O2 G:CAC2404 1.8 37.0 0.7 C1 G:CAC2404 2.0 33.9 0.7 C2 G:CAC2404 2.0 33.9 0.7 H12 G:CAC2404 2.5 40.6 0.7 H11 G:CAC2404 2.5 40.6 0.7 H13 G:CAC2404 2.5 40.6 0.7 H22 G:CAC2404 2.5 40.6 0.7 H21 G:CAC2404 2.5 40.6 0.7 H23 G:CAC2404 2.5 40.6 0.7 ZN G:ZN2402 3.1 31.3 0.9 ZN G:ZN2401 3.2 31.0 1.0 OQ2 G:KCX169 3.7 27.9 1.0 OD2 G:ASP301 3.8 34.4 1.0 OQ1 G:KCX169 4.0 27.9 1.0 NE2 G:HIS230 4.1 33.4 1.0 OD1 G:ASP301 4.3 35.4 1.0 NE1 G:TRP131 4.3 25.2 1.0 CX G:KCX169 4.3 27.3 1.0 NE2 G:HIS57 4.3 30.9 1.0 CG G:ASP301 4.5 38.0 1.0 CE1 G:HIS230 4.5 34.8 1.0 ND1 G:HIS201 4.5 32.1 1.0 CZ2 G:TRP131 4.6 40.4 1.0 CE1 G:HIS201 4.8 32.2 1.0 CE2 G:TRP131 4.8 23.7 1.0 NE2 G:HIS55 4.9 31.6 1.0 CE1 G:HIS57 5.0 26.5 1.0

C.M.Miton, E.C.Campbell, C.J.Jackson, N.Tokuriki. Phosphotriesterase Variant S4 To Be Published.