Calcium in PDB 6g82: Serum Paraoxonase-1 By Directed Evolution with the L69S/H115W/F222S Mutations

The structure of Serum Paraoxonase-1 By Directed Evolution with the L69S/H115W/F222S Mutations, PDB code: 6g82 was solved by M.Ben-David, J.L.Sussman, D.S.Tawfik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.57 / 2.40
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	98.135, 98.135, 139.189, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 22.3

The binding sites of Calcium atom in the Serum Paraoxonase-1 By Directed Evolution with the L69S/H115W/F222S Mutations (pdb code 6g82). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Serum Paraoxonase-1 By Directed Evolution with the L69S/H115W/F222S Mutations, PDB code: 6g82:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Serum Paraoxonase-1 By Directed Evolution with the L69S/H115W/F222S Mutations


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Serum Paraoxonase-1 By Directed Evolution with the L69S/H115W/F222S Mutations within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:15.7 occ:1.00 OD2 A:ASP54 2.3 18.4 1.0 O A:HOH540 2.4 13.4 1.0 O A:ILE117 2.4 15.6 1.0 OD2 A:ASP169 2.5 20.1 1.0 O A:HOH525 2.5 16.2 1.0 OD1 A:ASP169 2.5 18.2 1.0 O A:HOH548 2.6 15.8 1.0 CG A:ASP169 2.8 17.5 1.0 CG A:ASP54 3.3 18.0 1.0 C A:ILE117 3.5 16.8 1.0 OD1 A:ASP54 3.6 19.4 1.0 N A:ILE117 3.7 15.1 1.0 O A:ILE170 3.8 13.5 1.0 O A:HOH558 4.0 16.6 1.0 CA A:ILE117 4.3 16.1 1.0 O A:HOH528 4.3 16.0 1.0 CB A:ASP169 4.3 14.5 1.0 N A:SER118 4.6 18.2 1.0 C A:GLY116 4.6 19.0 1.0 OE1 A:GLU56 4.7 22.8 1.0 CA A:GLY116 4.7 13.1 1.0 CG1 A:ILE117 4.7 15.5 1.0 CB A:ASP54 4.7 15.4 1.0 O A:ILE226 4.7 14.1 1.0 N A:ILE170 4.8 11.7 1.0 CA A:SER118 4.9 16.5 1.0 C A:ILE170 4.9 15.7 1.0 CB A:SER118 5.0 15.4 1.0

Calcium binding site 2 out of 2 in the Serum Paraoxonase-1 By Directed Evolution with the L69S/H115W/F222S Mutations


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Serum Paraoxonase-1 By Directed Evolution with the L69S/H115W/F222S Mutations within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:41.8 occ:0.53 O A:HOH506 2.4 28.0 1.0 O A:HOH602 2.4 36.4 1.0 OE2 A:GLU53 2.5 25.9 1.0 OD2 A:ASP269 3.2 23.9 1.0 OD1 A:ASP269 3.3 26.8 1.0 OD1 A:ASN224 3.5 30.8 1.0 CD A:GLU53 3.6 25.1 1.0 ND2 A:ASN168 3.6 31.0 1.0 CZ3 A:TRP115 3.6 29.7 1.0 CG A:ASP269 3.7 21.5 1.0 OD1 A:ASN168 4.0 28.9 1.0 CE3 A:TRP115 4.0 30.7 1.0 O A:HOH597 4.0 24.4 1.0 CG A:ASN168 4.2 28.3 1.0 CG A:GLU53 4.3 27.3 1.0 OE1 A:GLU53 4.5 25.0 1.0 OD1 A:ASN270 4.5 21.5 1.0 ND2 A:ASN270 4.6 21.5 1.0 CG A:ASN224 4.7 28.7 1.0 CG2 A:THR332 4.8 20.2 1.0 CH2 A:TRP115 4.8 33.2 1.0 CG A:ASN270 4.9 18.8 1.0

M.Ben-David, L.S.Joel, S.T.Dan. An Epistatic Ratchet Versus A Reversible Transition in the Evolution of Enzyme Function To Be Published.