Zinc in PDB 4pbe: Phosphotriesterase Variant REV6

All present enzymatic activity of Phosphotriesterase Variant REV6:
3.1.8.1;

The structure of Phosphotriesterase Variant REV6, PDB code: 4pbe 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)	39.59 / 1.51
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.638, 85.966, 89.188, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 24.9

The structure of Phosphotriesterase Variant REV6 also contains other interesting chemical elements:

Arsenic

(As)

1 atom

The binding sites of Zinc atom in the Phosphotriesterase Variant REV6 (pdb code 4pbe). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Phosphotriesterase Variant REV6, PDB code: 4pbe:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Phosphotriesterase Variant REV6


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Phosphotriesterase Variant REV6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2401 b:11.0 occ:1.00 O1 A:CAC2403 1.9 10.2 0.6 NE2 A:HIS57 2.1 11.2 1.0 NE2 A:HIS55 2.1 9.0 1.0 OQ1 A:KCX169 2.1 11.0 1.0 OD1 A:ASP301 2.2 11.3 1.0 CD2 A:HIS55 3.0 9.0 1.0 CE1 A:HIS57 3.0 9.0 1.0 CX A:KCX169 3.0 12.1 1.0 CG A:ASP301 3.0 10.7 1.0 CE1 A:HIS55 3.1 11.7 1.0 CD2 A:HIS57 3.1 9.6 1.0 AS A:CAC2403 3.2 26.0 0.6 OD2 A:ASP301 3.3 11.9 1.0 OQ2 A:KCX169 3.5 10.6 1.0 ZN A:ZN2402 3.5 17.2 1.0 C2 A:CAC2403 3.6 17.7 0.6 NZ A:KCX169 4.0 14.9 1.0 CG2 A:VAL101 4.1 10.5 1.0 ND1 A:HIS57 4.1 9.5 1.0 CE1 A:HIS230 4.1 14.6 1.0 CG A:HIS55 4.2 9.8 1.0 ND1 A:HIS55 4.2 10.1 1.0 CG A:HIS57 4.2 8.1 1.0 O2 A:CAC2403 4.3 12.1 0.6 NE2 A:HIS230 4.4 12.0 1.0 CB A:ASP301 4.4 11.0 1.0 C1 A:CAC2403 4.6 21.1 0.6 O A:HOH2590 4.8 23.9 1.0 CA A:ASP301 4.9 10.4 1.0

Zinc binding site 2 out of 4 in the Phosphotriesterase Variant REV6


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Phosphotriesterase Variant REV6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2402 b:17.2 occ:1.00 NE2 A:HIS230 2.0 12.0 1.0 OQ2 A:KCX169 2.0 10.6 1.0 O2 A:CAC2403 2.1 12.1 0.6 O1 A:CAC2403 2.3 10.2 0.6 ND1 A:HIS201 2.5 18.1 1.0 AS A:CAC2403 2.8 26.0 0.6 CX A:KCX169 2.9 12.1 1.0 CE1 A:HIS230 2.9 14.6 1.0 CD2 A:HIS230 3.0 17.4 1.0 OQ1 A:KCX169 3.2 11.0 1.0 CE1 A:HIS201 3.4 17.1 1.0 CG A:HIS201 3.5 18.3 1.0 ZN A:ZN2401 3.5 11.0 1.0 CB A:HIS201 3.8 14.5 1.0 CE1 A:HIS55 4.0 11.7 1.0 NE1 A:TRP131 4.0 14.7 1.0 ND1 A:HIS230 4.1 17.4 1.0 NE2 A:HIS55 4.1 9.0 1.0 CG A:HIS230 4.1 14.5 1.0 NZ A:KCX169 4.1 14.9 1.0 C1 A:CAC2403 4.2 21.1 0.6 OD2 A:ASP301 4.2 11.9 1.0 C2 A:CAC2403 4.3 17.7 0.6 CA A:HIS201 4.5 14.9 1.0 NE2 A:HIS201 4.6 19.8 1.0 CE A:KCX169 4.6 13.1 1.0 CD1 A:TRP131 4.6 14.3 1.0 CD2 A:HIS201 4.7 20.3 1.0 OD1 A:ASP301 4.9 11.3 1.0 CG A:ASP301 4.9 10.7 1.0

Zinc binding site 3 out of 4 in the Phosphotriesterase Variant REV6


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Phosphotriesterase Variant REV6 within 5.0Å range: probe atom residue distance (Å) B Occ G:Zn2401 b:15.2 occ:0.93 O G:HOH2644 1.8 20.5 1.0 NE2 G:HIS57 2.0 14.1 1.0 NE2 G:HIS55 2.1 13.5 1.0 OQ2 G:KCX169 2.2 17.9 1.0 OD1 G:ASP301 2.3 14.9 1.0 CE1 G:HIS57 3.0 14.3 1.0 CD2 G:HIS55 3.0 16.9 1.0 CD2 G:HIS57 3.1 14.4 1.0 CX G:KCX169 3.1 15.4 1.0 CG G:ASP301 3.1 15.4 1.0 CE1 G:HIS55 3.1 15.2 1.0 OD2 G:ASP301 3.4 17.3 1.0 ZN G:ZN2402 3.4 19.5 0.7 O2 G:MPD2403 3.5 15.3 0.9 OQ1 G:KCX169 3.5 20.9 1.0 C1 G:MPD2403 3.7 22.6 0.9 CM G:MPD2403 3.8 29.6 0.9 C2 G:MPD2403 3.9 30.7 0.9 NZ G:KCX169 4.1 19.4 1.0 ND1 G:HIS57 4.1 14.3 1.0 CE1 G:HIS230 4.1 18.8 1.0 CG G:HIS55 4.2 14.5 1.0 CG G:HIS57 4.2 18.6 1.0 ND1 G:HIS55 4.2 14.9 1.0 CG2 G:VAL101 4.2 13.1 1.0 NE2 G:HIS230 4.3 15.2 1.0 CB G:ASP301 4.4 14.0 1.0 CA G:ASP301 4.9 15.8 1.0

Zinc binding site 4 out of 4 in the Phosphotriesterase Variant REV6


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Phosphotriesterase Variant REV6 within 5.0Å range: probe atom residue distance (Å) B Occ G:Zn2402 b:19.5 occ:0.73 OQ1 G:KCX169 1.9 20.9 1.0 NE2 G:HIS230 2.0 15.2 1.0 O G:HOH2644 2.3 20.5 1.0 O2 G:MPD2403 2.7 15.3 0.9 CX G:KCX169 2.8 15.4 1.0 CE1 G:HIS230 3.0 18.8 1.0 ND1 G:HIS201 3.0 19.6 1.0 OQ2 G:KCX169 3.0 17.9 1.0 CD2 G:HIS230 3.1 19.0 1.0 ZN G:ZN2401 3.4 15.2 0.9 CG G:HIS201 3.8 23.0 1.0 CB G:HIS201 3.9 23.3 1.0 CE1 G:HIS201 3.9 25.4 1.0 CE1 G:HIS55 4.0 15.2 1.0 NE2 G:HIS55 4.0 13.5 1.0 C2 G:MPD2403 4.1 30.7 0.9 NZ G:KCX169 4.1 19.4 1.0 ND1 G:HIS230 4.1 18.3 1.0 NE1 G:TRP131 4.1 16.1 1.0 CG G:HIS230 4.2 21.1 1.0 OD2 G:ASP301 4.2 17.3 1.0 C1 G:MPD2403 4.2 22.6 0.9 CE G:KCX169 4.7 20.2 1.0 CA G:HIS201 4.8 18.8 1.0 CD1 G:TRP131 4.8 16.5 1.0 OD1 G:ASP301 4.9 14.9 1.0 CM G:MPD2403 4.9 29.6 0.9 CG G:ASP301 4.9 15.4 1.0

E.Campbell, M.Kaltenbach, N.Tokuriki, C.J.Jackson. Phosphotriesterase Variant REV6 To Be Published.