Arsenic in PDB 4pcp: Crystal Structure of Phosphotriesterase Variant R0

All present enzymatic activity of Crystal Structure of Phosphotriesterase Variant R0:
3.1.8.1;

The structure of Crystal Structure of Phosphotriesterase Variant R0, PDB code: 4pcp 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)	43.16 / 1.63
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	86.141, 86.325, 88.722, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21.9

The structure of Crystal Structure of Phosphotriesterase Variant R0 also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Arsenic atom in the Crystal Structure of Phosphotriesterase Variant R0 (pdb code 4pcp). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Crystal Structure of Phosphotriesterase Variant R0, PDB code: 4pcp:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Crystal Structure of Phosphotriesterase Variant R0


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of Phosphotriesterase Variant R0 within 5.0Å range: probe atom residue distance (Å) B Occ A:As2403 b:30.9 occ:0.69 AS A:CAC2403 0.0 30.9 0.7 O1 A:CAC2403 1.7 29.1 0.7 O2 A:CAC2403 1.8 14.7 0.7 C2 A:CAC2403 2.0 35.4 0.7 C1 A:CAC2403 2.0 17.5 0.7 O A:HOH2649 3.2 24.3 1.0 ZN A:ZN2402 3.2 19.2 0.8 ZN A:ZN2401 3.3 11.4 0.8 OQ2 A:KCX169 3.6 16.2 1.0 NE1 A:TRP131 4.0 21.8 1.0 OQ1 A:KCX169 4.1 15.4 1.0 OD2 A:ASP301 4.1 17.9 1.0 CX A:KCX169 4.3 19.7 1.0 NE2 A:HIS57 4.3 12.8 1.0 CZ2 A:TRP131 4.3 24.7 1.0 OD1 A:ASP301 4.4 14.8 1.0 CE2 A:TRP131 4.4 20.9 1.0 ND1 A:HIS201 4.4 19.5 1.0 CE1 A:HIS201 4.6 28.4 1.0 NE2 A:HIS230 4.7 18.0 1.0 CG A:ASP301 4.7 14.1 1.0 CE1 A:HIS57 4.8 12.0 1.0

Arsenic binding site 2 out of 2 in the Crystal Structure of Phosphotriesterase Variant R0


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of Phosphotriesterase Variant R0 within 5.0Å range: probe atom residue distance (Å) B Occ G:As2403 b:28.3 occ:0.69 AS G:CAC2403 0.0 28.3 0.7 O2 G:CAC2403 1.7 15.5 0.7 O1 G:CAC2403 1.7 23.1 0.7 C2 G:CAC2403 2.0 26.2 0.7 C1 G:CAC2403 2.0 16.7 0.7 ZN G:ZN2402 3.2 19.2 0.9 O G:HOH2679 3.2 20.2 1.0 ZN G:ZN2401 3.3 16.5 1.0 OQ1 G:KCX169 3.5 20.0 1.0 NE1 G:TRP131 4.1 21.0 1.0 OQ2 G:KCX169 4.1 17.7 1.0 CX G:KCX169 4.2 22.2 1.0 OD2 G:ASP301 4.2 20.2 1.0 NE2 G:HIS57 4.2 13.4 1.0 CZ2 G:TRP131 4.2 24.1 1.0 CE2 G:TRP131 4.4 25.0 1.0 OD1 G:ASP301 4.5 18.5 1.0 ND1 G:HIS201 4.5 20.9 1.0 NE2 G:HIS230 4.6 20.6 1.0 CE1 G:HIS201 4.7 22.4 1.0 CE1 G:HIS57 4.7 17.9 1.0 CG G:ASP301 4.8 18.8 1.0

E.Campbell, M.Kaltenbach, N.Tokuriki, C.Jackson. Crystal Structure of Phosphotriesterase Variant R0 To Be Published.