Arsenic in PDB 6aml: Phosphotriesterase Variant S8

The structure of Phosphotriesterase Variant S8, PDB code: 6aml 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)	42.57 / 1.46
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.134, 85.811, 88.658, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 17.5

The structure of Phosphotriesterase Variant S8 also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Arsenic atom in the Phosphotriesterase Variant S8 (pdb code 6aml). 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 S8, PDB code: 6aml:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Phosphotriesterase Variant S8


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Phosphotriesterase Variant S8 within 5.0Å range: probe atom residue distance (Å) B Occ A:As2403 b:26.9 occ:0.80 AS A:CAC2403 0.0 26.9 0.8 O1 A:CAC2403 1.7 25.6 0.8 O2 A:CAC2403 1.7 20.9 0.8 C2 A:CAC2403 1.9 27.4 0.8 C1 A:CAC2403 2.0 22.4 0.8 ZN A:ZN2402 3.0 24.7 0.8 ZN A:ZN2401 3.2 22.6 0.9 OQ2 A:KCX169 3.5 25.8 1.0 OQ1 A:KCX169 3.9 29.1 1.0 NE1 A:TRP131 4.0 26.7 1.0 CX A:KCX169 4.1 25.8 1.0 NE2 A:HIS230 4.1 25.2 1.0 OD2 A:ASP301 4.2 26.9 1.0 NE2 A:HIS57 4.2 23.4 1.0 OD1 A:ASP301 4.4 26.8 1.0 CZ2 A:TRP131 4.5 30.4 1.0 ND1 A:HIS201 4.5 28.3 1.0 CE1 A:HIS230 4.5 31.1 1.0 CE2 A:TRP131 4.6 25.9 1.0 CG A:ASP301 4.8 28.0 1.0 CE1 A:HIS201 4.8 28.9 1.0 CE1 A:HIS57 4.8 26.0 1.0 NE2 A:HIS55 4.9 21.3 1.0

Arsenic binding site 2 out of 2 in the Phosphotriesterase Variant S8


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Phosphotriesterase Variant S8 within 5.0Å range: probe atom residue distance (Å) B Occ G:As2403 b:19.3 occ:0.76 AS G:CAC2403 0.0 19.3 0.8 O2 G:CAC2403 1.7 14.2 0.8 O1 G:CAC2403 1.7 16.9 0.8 C2 G:CAC2403 2.0 20.4 0.8 C1 G:CAC2403 2.0 19.8 0.8 ZN G:ZN2402 3.1 18.4 0.8 ZN G:ZN2401 3.3 17.8 1.0 OQ1 G:KCX169 3.5 17.3 1.0 OQ2 G:KCX169 4.0 17.7 1.0 OD2 G:ASP301 4.0 18.5 1.0 NE1 G:TRP131 4.1 20.9 1.0 CX G:KCX169 4.1 20.0 1.0 NE2 G:HIS230 4.2 21.7 1.0 NE2 G:HIS57 4.3 16.0 0.9 C4 G:MPD2405 4.4 46.6 1.0 OD1 G:ASP301 4.4 17.4 1.0 O4 G:MPD2405 4.6 44.4 1.0 CE1 G:HIS230 4.6 22.0 1.0 ND1 G:HIS201 4.6 20.4 1.0 CZ2 G:TRP131 4.6 21.1 1.0 CE2 G:TRP131 4.6 19.8 1.0 CG G:ASP301 4.7 16.1 1.0 CE1 G:HIS201 4.8 20.9 1.0 O2 G:MPD2405 4.8 46.0 1.0 NE2 G:HIS55 4.9 15.6 1.0 CE1 G:HIS57 4.9 15.3 0.9

C.M.Miton, E.C.Campbell, C.J.Jackson, N.Tokuriki. Phosphotriesterase Variant S8 To Be Published.