Zinc in PDB 6b2f: Phosphotriesterase Variant S5 + Ts Analogue

The structure of Phosphotriesterase Variant S5 + Ts Analogue, PDB code: 6b2f 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)	30.56 / 1.78
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	84.660, 85.020, 87.940, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 23

The binding sites of Zinc atom in the Phosphotriesterase Variant S5 + Ts Analogue (pdb code 6b2f). 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 S5 + Ts Analogue, PDB code: 6b2f:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Phosphotriesterase Variant S5 + Ts Analogue


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Phosphotriesterase Variant S5 + Ts Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2401 b:16.6 occ:0.92 OAI A:HLN2404 1.8 22.1 1.0 NE2 A:HIS55 2.0 17.7 1.0 NE2 A:HIS57 2.1 18.7 1.0 OQ2 A:KCX169 2.1 20.6 1.0 OD1 A:ASP301 2.2 18.3 1.0 CX A:KCX169 3.0 19.7 1.0 CD2 A:HIS55 3.0 16.9 1.0 CE1 A:HIS57 3.0 16.4 1.0 CE1 A:HIS55 3.0 17.6 1.0 CD2 A:HIS57 3.1 16.3 1.0 CG A:ASP301 3.2 18.2 1.0 PAG A:HLN2404 3.2 35.0 1.0 OQ1 A:KCX169 3.4 21.5 1.0 OD2 A:ASP301 3.5 16.7 1.0 CAF A:HLN2404 3.6 36.1 1.0 ZN A:ZN2402 3.8 19.4 0.8 CG2 A:VAL101 4.0 12.8 1.0 NZ A:KCX169 4.0 15.7 1.0 OAH A:HLN2404 4.0 25.9 1.0 ND1 A:HIS55 4.1 16.0 1.0 CG A:HIS55 4.1 16.6 1.0 ND1 A:HIS57 4.1 15.7 1.0 CE1 A:HIS230 4.2 25.1 1.0 OAJ A:HLN2404 4.2 52.2 1.0 CG A:HIS57 4.2 17.6 1.0 NE2 A:HIS230 4.4 24.2 1.0 CB A:ASP301 4.5 20.1 1.0 CA A:ASP301 5.0 16.9 1.0

Zinc binding site 2 out of 4 in the Phosphotriesterase Variant S5 + Ts Analogue


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Phosphotriesterase Variant S5 + Ts Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2402 b:19.4 occ:0.77 OQ1 A:KCX169 1.9 21.5 1.0 ND1 A:HIS201 2.0 25.5 1.0 NE2 A:HIS230 2.0 24.2 1.0 OAH A:HLN2404 2.1 25.9 1.0 OAI A:HLN2404 2.6 22.1 1.0 PAG A:HLN2404 2.8 35.0 1.0 CE1 A:HIS201 2.9 26.8 1.0 CX A:KCX169 3.0 19.7 1.0 CG A:HIS201 3.0 24.1 1.0 CD2 A:HIS230 3.0 24.7 1.0 CE1 A:HIS230 3.0 25.1 1.0 OQ2 A:KCX169 3.4 20.6 1.0 CB A:HIS201 3.4 22.1 1.0 OAJ A:HLN2404 3.6 52.2 1.0 ZN A:ZN2401 3.8 16.6 0.9 NE1 A:TRP131 3.9 21.4 1.0 NE2 A:HIS201 4.0 26.5 1.0 CD2 A:HIS201 4.1 26.3 1.0 NZ A:KCX169 4.1 15.7 1.0 ND1 A:HIS230 4.1 24.9 1.0 CG A:HIS230 4.2 24.9 1.0 CE1 A:HIS55 4.2 17.6 1.0 NE2 A:HIS55 4.3 17.7 1.0 CA A:HIS201 4.3 21.5 1.0 CAF A:HLN2404 4.4 36.1 1.0 CD1 A:TRP131 4.5 19.4 1.0 CE A:KCX169 4.6 16.7 1.0 OD2 A:ASP301 4.7 16.7 1.0

Zinc binding site 3 out of 4 in the Phosphotriesterase Variant S5 + Ts Analogue


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Phosphotriesterase Variant S5 + Ts Analogue within 5.0Å range: probe atom residue distance (Å) B Occ G:Zn2401 b:16.5 occ:0.85 OAH G:HLN2404 1.6 24.8 1.0 NE2 G:HIS57 2.0 19.9 1.0 OQ1 G:KCX169 2.1 21.1 1.0 NE2 G:HIS55 2.1 25.1 1.0 OD1 G:ASP301 2.3 23.3 1.0 PAG G:HLN2404 2.8 34.0 1.0 CE1 G:HIS57 3.0 18.8 1.0 CD2 G:HIS55 3.0 22.5 1.0 CD2 G:HIS57 3.1 19.4 1.0 CE1 G:HIS55 3.1 22.0 1.0 CX G:KCX169 3.2 25.9 1.0 CG G:ASP301 3.2 24.6 1.0 CAF G:HLN2404 3.3 40.1 1.0 OAJ G:HLN2404 3.6 37.5 1.0 OD2 G:ASP301 3.6 27.7 1.0 OQ2 G:KCX169 3.6 28.1 1.0 ZN G:ZN2402 3.6 23.2 0.9 OAI G:HLN2404 4.0 39.3 1.0 CG2 G:VAL101 4.1 17.7 1.0 ND1 G:HIS57 4.1 18.1 1.0 CE1 G:HIS230 4.1 30.3 1.0 CG G:HIS57 4.2 19.2 1.0 CG G:HIS55 4.2 22.0 1.0 ND1 G:HIS55 4.2 23.2 1.0 NZ G:KCX169 4.2 23.1 1.0 NE2 G:HIS230 4.3 31.4 1.0 CB G:ASP301 4.5 20.8 1.0 CAE G:HLN2404 4.6 42.8 1.0 CAR G:HLN2404 4.6 49.2 1.0 CAS G:HLN2404 4.7 54.4 1.0

Zinc binding site 4 out of 4 in the Phosphotriesterase Variant S5 + Ts Analogue


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Phosphotriesterase Variant S5 + Ts Analogue within 5.0Å range: probe atom residue distance (Å) B Occ G:Zn2402 b:23.2 occ:0.88 OQ2 G:KCX169 2.0 28.1 1.0 ND1 G:HIS201 2.0 29.5 1.0 NE2 G:HIS230 2.1 31.4 1.0 OAH G:HLN2404 2.3 24.8 1.0 OAI G:HLN2404 2.4 39.3 1.0 PAG G:HLN2404 2.8 34.0 1.0 CX G:KCX169 2.9 25.9 1.0 CE1 G:HIS201 3.0 28.4 1.0 CD2 G:HIS230 3.0 29.8 1.0 CG G:HIS201 3.1 28.2 1.0 CE1 G:HIS230 3.1 30.3 1.0 OQ1 G:KCX169 3.2 21.1 1.0 CB G:HIS201 3.4 24.4 1.0 OAJ G:HLN2404 3.6 37.5 1.0 ZN G:ZN2401 3.6 16.5 0.8 NE1 G:TRP131 3.9 26.2 1.0 CE1 G:HIS55 4.0 22.0 1.0 NE2 G:HIS201 4.1 27.6 1.0 NZ G:KCX169 4.1 23.1 1.0 NE2 G:HIS55 4.1 25.1 1.0 CD2 G:HIS201 4.2 29.6 1.0 ND1 G:HIS230 4.2 30.0 1.0 CG G:HIS230 4.2 29.4 1.0 CA G:HIS201 4.3 22.0 1.0 CAF G:HLN2404 4.4 40.1 1.0 CE G:KCX169 4.6 22.3 1.0 CD1 G:TRP131 4.6 25.1 1.0 OD2 G:ASP301 4.8 27.7 1.0 CAR G:HLN2404 4.9 49.2 1.0 CAE G:HLN2404 4.9 42.8 1.0

C.M.Miton, E.C.Campbell, C.J.Jackson, N.Tokuriki. Phosphotriesterase Variant S5 + Ts Analogue To Be Published.