Arsenic in PDB 4pbf: Phosphotriesterase Variant REV12

The structure of Phosphotriesterase Variant REV12, PDB code: 4pbf was solved by E.Campbell, M.Kaltenbach, N.Tokuriki, C.J.Jackson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.33 / 1.90
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	123.696, 123.696, 112.132, 90.00, 90.00, 120.00
R / Rfree (%)	14.1 / 17.3

The structure of Phosphotriesterase Variant REV12 also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Arsenic atom in the Phosphotriesterase Variant REV12 (pdb code 4pbf). 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 REV12, PDB code: 4pbf:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Phosphotriesterase Variant REV12


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Phosphotriesterase Variant REV12 within 5.0Å range: probe atom residue distance (Å) B Occ A:As2403 b:21.5 occ:1.00 AS A:CAC2403 0.0 21.5 1.0 O1 A:CAC2403 1.7 12.9 1.0 O2 A:CAC2403 1.7 21.7 1.0 C1 A:CAC2403 1.9 22.2 1.0 C2 A:CAC2403 2.0 17.2 1.0 ZN A:ZN2402 3.1 16.3 1.0 ZN A:ZN2401 3.3 13.0 1.0 OQ2 A:KCX169 3.6 15.8 1.0 OD2 A:ASP301 3.9 13.1 1.0 OQ1 A:KCX169 4.1 12.4 1.0 O A:HOH2667 4.2 23.5 1.0 NE1 A:TRP131 4.2 13.3 1.0 CX A:KCX169 4.3 12.7 1.0 NE2 A:HIS57 4.3 10.6 1.0 OD1 A:ASP301 4.4 14.5 1.0 NE2 A:HIS230 4.4 8.9 1.0 CZ2 A:TRP131 4.5 12.9 1.0 CG A:ASP301 4.6 13.8 1.0 CE2 A:TRP131 4.7 14.9 1.0 ND1 A:HIS201 4.7 14.5 1.0 NH1 A:ARG254 4.8 19.5 1.0 CE1 A:HIS230 4.9 12.5 1.0 CE1 A:HIS57 5.0 9.9 1.0

Arsenic binding site 2 out of 2 in the Phosphotriesterase Variant REV12


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Phosphotriesterase Variant REV12 within 5.0Å range: probe atom residue distance (Å) B Occ B:As2403 b:19.9 occ:1.00 AS B:CAC2403 0.0 19.9 1.0 O1 B:CAC2403 1.7 11.9 1.0 O2 B:CAC2403 1.7 20.0 1.0 C1 B:CAC2403 1.9 16.5 1.0 C2 B:CAC2403 2.0 16.9 1.0 ZN B:ZN2402 3.0 16.8 1.0 ZN B:ZN2401 3.3 13.0 1.0 OQ1 B:KCX169 3.6 15.0 1.0 OD2 B:ASP301 4.0 17.9 1.0 OQ2 B:KCX169 4.2 12.2 1.0 O B:HOH2614 4.2 18.4 1.0 NE1 B:TRP131 4.3 10.4 1.0 NE2 B:HIS57 4.3 12.9 1.0 CX B:KCX169 4.3 11.3 1.0 NE2 B:HIS230 4.4 11.5 1.0 OD1 B:ASP301 4.4 12.4 1.0 CZ2 B:TRP131 4.6 12.3 1.0 ND1 B:HIS201 4.6 15.6 1.0 CE2 B:TRP131 4.7 12.9 1.0 CG B:ASP301 4.7 12.8 1.0 NH1 B:ARG254 4.9 20.5 1.0 CE1 B:HIS230 5.0 12.5 1.0 CE1 B:HIS57 5.0 11.8 1.0

E.Campbell, M.Kaltenbach, N.Tokuriki, C.J.Jackson. Phosphotriesterase Variant REV12 To Be Published.