Arsenic in PDB 6bhl: Phosphotriesterase Variant S5DELTAL7

The structure of Phosphotriesterase Variant S5DELTAL7, PDB code: 6bhl 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)	30.75 / 1.40
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.146, 85.485, 88.535, 90.00, 90.00, 90.00
R / Rfree (%)	13.4 / 16.1

The structure of Phosphotriesterase Variant S5DELTAL7 also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Arsenic atom in the Phosphotriesterase Variant S5DELTAL7 (pdb code 6bhl). 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 S5DELTAL7, PDB code: 6bhl:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Phosphotriesterase Variant S5DELTAL7


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Phosphotriesterase Variant S5DELTAL7 within 5.0Å range: probe atom residue distance (Å) B Occ A:As2407 b:13.3 occ:0.64 AS A:CAC2407 0.0 13.3 0.6 O2 A:CAC2407 1.7 10.6 0.6 O1 A:CAC2407 1.7 12.0 0.6 C1 A:CAC2407 1.9 12.7 0.6 C2 A:CAC2407 2.0 14.5 0.6 O A:HOH2501 2.2 8.0 1.0 ZN A:ZN2402 3.0 12.6 0.9 ZN A:ZN2401 3.2 9.9 1.0 HE1 A:TRP131 3.4 15.8 1.0 H12 A:MPD2404 3.6 50.2 1.0 OQ2 A:KCX169 3.6 11.2 1.0 OD2 A:ASP292 3.9 12.4 1.0 HZ2 A:TRP131 3.9 16.8 1.0 OQ1 A:KCX169 4.0 12.3 1.0 NE1 A:TRP131 4.0 13.2 1.0 HE1 A:HIS201 4.1 20.0 1.0 O A:HOH2728 4.1 36.2 1.0 NE2 A:HIS230 4.2 13.6 1.0 OD1 A:ASP292 4.2 10.5 1.0 CX A:KCX169 4.2 12.4 1.0 NE2 A:HIS57 4.3 7.7 1.0 HE1 A:HIS230 4.4 17.0 1.0 ND1 A:HIS201 4.4 13.7 1.0 NE2 A:HIS57 4.4 9.6 0.0 H13 A:MPD2404 4.4 50.2 1.0 CG A:ASP292 4.5 11.7 1.0 C1 A:MPD2404 4.5 41.9 1.0 CZ2 A:TRP131 4.5 14.0 1.0 O A:HOH2702 4.6 49.6 1.0 CE2 A:TRP131 4.6 12.4 1.0 CE1 A:HIS201 4.6 16.7 1.0 CE1 A:HIS230 4.6 14.2 1.0 HD11 A:LEU106 4.8 12.9 0.0 HD11 A:LEU106 4.8 14.0 1.0 O2 A:MPD2404 4.9 37.1 1.0 NE2 A:HIS55 4.9 9.0 1.0 HE1 A:HIS57 4.9 9.8 1.0 CE1 A:HIS57 4.9 8.2 1.0

Arsenic binding site 2 out of 2 in the Phosphotriesterase Variant S5DELTAL7


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Phosphotriesterase Variant S5DELTAL7 within 5.0Å range: probe atom residue distance (Å) B Occ G:As2407 b:12.8 occ:0.70 AS G:CAC2407 0.0 12.8 0.7 O2 G:CAC2407 1.7 10.6 0.7 O1 G:CAC2407 1.7 11.6 0.7 C1 G:CAC2407 1.9 13.8 0.7 C2 G:CAC2407 2.0 13.0 0.7 O G:HOH2501 2.5 14.6 1.0 ZN G:ZN2402 3.0 12.7 0.9 ZN G:ZN2401 3.2 10.6 1.0 HE1 G:TRP131 3.6 15.8 1.0 OQ1 G:KCX169 3.6 11.6 1.0 HE1 G:TRP131 3.7 16.2 0.0 HZ2 G:TRP131 3.8 16.6 0.0 OD2 G:ASP292 3.9 10.6 1.0 HZ2 G:TRP131 4.0 16.8 1.0 OQ2 G:KCX169 4.0 11.3 1.0 NE1 G:TRP131 4.2 13.2 1.0 NE2 G:HIS230 4.2 13.1 1.0 HE1 G:HIS201 4.2 18.8 1.0 CX G:KCX169 4.2 11.7 1.0 H11 G:MPD2406 4.2 63.3 0.9 NE1 G:TRP131 4.2 13.5 0.0 NE2 G:HIS57 4.2 9.3 1.0 H53 G:MPD2406 4.3 65.8 0.9 OD1 G:ASP292 4.3 11.3 1.0 HE1 G:HIS230 4.4 15.2 1.0 H4 G:MPD2406 4.4 65.8 0.9 CZ2 G:TRP131 4.4 13.9 0.0 ND1 G:HIS201 4.5 13.5 1.0 CZ2 G:TRP131 4.5 14.0 1.0 CG G:ASP292 4.6 10.8 1.0 CE2 G:TRP131 4.6 13.6 0.0 CE1 G:HIS230 4.6 12.6 1.0 CE2 G:TRP131 4.6 12.7 1.0 CE1 G:HIS201 4.7 15.6 1.0 HD11 G:LEU106 4.7 14.3 0.3 HD11 G:LEU106 4.7 14.3 0.7 O G:HOH2705 4.8 43.9 1.0 HE1 G:HIS57 4.8 10.8 1.0 CE1 G:HIS57 4.8 9.0 1.0 NE2 G:HIS55 4.9 9.8 0.7 O G:HOH2720 4.9 26.9 1.0 NE2 G:HIS55 4.9 9.5 0.3

C.M.Miton, E.C.Campbell, C.J.Jackson, N.Tokuriki. Phosphotriesterase Variant S5DELTAL7 To Be Published.