Arsenic in PDB 5wcr: Phosphotriesterase Variant R0DELTAL7

The structure of Phosphotriesterase Variant R0DELTAL7, PDB code: 5wcr 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)	39.46 / 1.75
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	86.051, 86.167, 88.779, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 20.1

The structure of Phosphotriesterase Variant R0DELTAL7 also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Arsenic atom in the Phosphotriesterase Variant R0DELTAL7 (pdb code 5wcr). 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 R0DELTAL7, PDB code: 5wcr:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Phosphotriesterase Variant R0DELTAL7


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Phosphotriesterase Variant R0DELTAL7 within 5.0Å range: probe atom residue distance (Å) B Occ A:As2403 b:37.9 occ:0.63 AS A:CAC2403 0.0 37.9 0.6 O1 A:CAC2403 1.6 36.4 0.6 O2 A:CAC2403 1.8 27.2 0.6 C2 A:CAC2403 2.0 40.1 0.6 C1 A:CAC2403 2.0 33.5 0.6 ZN A:ZN2402 3.1 32.9 0.9 ZN A:ZN2401 3.3 25.7 0.9 OQ2 A:KCX169 3.5 29.9 1.0 OD2 A:ASP292 3.9 31.2 1.0 OQ1 A:KCX169 4.1 32.6 1.0 NE1 A:TRP131 4.1 31.1 1.0 CX A:KCX169 4.2 27.7 1.0 ND1 A:HIS201 4.3 31.9 1.0 CZ2 A:TRP131 4.3 36.5 1.0 OD1 A:ASP292 4.3 27.2 1.0 NE2 A:HIS57 4.4 29.0 1.0 CE1 A:HIS201 4.4 34.4 1.0 CE2 A:TRP131 4.5 33.3 1.0 NE2 A:HIS230 4.5 35.8 1.0 CG A:ASP292 4.6 30.6 1.0 CE1 A:HIS57 5.0 24.5 1.0 CE1 A:HIS230 5.0 35.5 1.0

Arsenic binding site 2 out of 2 in the Phosphotriesterase Variant R0DELTAL7


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Phosphotriesterase Variant R0DELTAL7 within 5.0Å range: probe atom residue distance (Å) B Occ G:As2403 b:40.4 occ:0.72 AS G:CAC2403 0.0 40.4 0.7 O1 G:CAC2403 1.6 39.8 0.7 O2 G:CAC2403 1.8 33.0 0.7 C2 G:CAC2403 2.0 36.0 0.7 C1 G:CAC2403 2.0 38.5 0.7 ZN G:ZN2402 3.1 38.2 1.0 ZN G:ZN2401 3.3 29.6 0.9 OQ1 G:KCX169 3.6 41.5 1.0 OQ2 G:KCX169 4.0 43.5 1.0 OD2 G:ASP292 4.1 42.0 1.0 NE1 G:TRP131 4.1 36.4 1.0 CX G:KCX169 4.2 41.3 1.0 NE2 G:HIS57 4.3 37.1 1.0 NE2 G:HIS230 4.3 48.1 1.0 OD1 G:ASP292 4.4 42.9 1.0 CZ2 G:TRP131 4.4 42.3 1.0 ND1 G:HIS201 4.5 45.7 1.0 CE2 G:TRP131 4.5 38.9 1.0 CG G:ASP292 4.7 41.6 1.0 CE1 G:HIS201 4.7 44.6 1.0 CE1 G:HIS230 4.8 46.8 1.0 CE1 G:HIS57 4.9 34.8 1.0 NE2 G:HIS55 5.0 42.1 1.0

C.M.Miton, E.C.Campbell, C.J.Jackson, N.Tokuriki. Phosphotriesterase Variant R0DELTAL7 To Be Published.