Calcium in PDB 6gmu: Serum Paraoxonase-1 By Directed Evolution with the L69G/H134R/F222S/T332S Mutations

The structure of Serum Paraoxonase-1 By Directed Evolution with the L69G/H134R/F222S/T332S Mutations, PDB code: 6gmu 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)	33.31 / 2.70
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	94.318, 94.318, 142.410, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 22.9

The structure of Serum Paraoxonase-1 By Directed Evolution with the L69G/H134R/F222S/T332S Mutations also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Calcium atom in the Serum Paraoxonase-1 By Directed Evolution with the L69G/H134R/F222S/T332S Mutations (pdb code 6gmu). 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 L69G/H134R/F222S/T332S Mutations, PDB code: 6gmu:
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 L69G/H134R/F222S/T332S 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 L69G/H134R/F222S/T332S Mutations within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:38.7 occ:1.00 O A:ILE117 2.4 36.6 1.0 OD1 A:ASP169 2.4 34.2 1.0 OD1 A:ASP54 2.4 37.0 1.0 O A:HOH509 2.5 33.0 1.0 OD2 A:ASP169 2.7 47.0 1.0 O A:HOH521 2.8 30.2 1.0 O A:HOH514 2.8 30.9 1.0 CG A:ASP169 2.9 37.7 1.0 CG A:ASP54 3.4 37.4 1.0 C A:ILE117 3.6 33.2 1.0 OD2 A:ASP54 3.6 38.8 1.0 N A:ILE117 3.7 31.9 1.0 O A:ILE170 3.8 34.2 1.0 O A:HOH510 3.9 37.2 1.0 O A:HOH507 4.1 35.9 1.0 CA A:ILE117 4.2 31.8 1.0 CB A:ASP169 4.4 32.3 1.0 OE2 A:GLU56 4.5 48.7 1.0 C A:GLY116 4.6 31.9 1.0 CA A:GLY116 4.6 30.0 1.0 N A:SER118 4.6 30.1 1.0 O A:ILE226 4.7 32.0 1.0 CB A:ASP54 4.8 34.8 1.0 CG1 A:ILE117 4.8 35.2 1.0 CA A:SER118 4.9 31.4 1.0 N A:ILE170 4.9 28.2 1.0 C A:ILE170 4.9 33.1 1.0 CB A:SER118 5.0 30.4 1.0

Calcium binding site 2 out of 2 in the Serum Paraoxonase-1 By Directed Evolution with the L69G/H134R/F222S/T332S 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 L69G/H134R/F222S/T332S Mutations within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:84.4 occ:1.00 OD2 A:ASP269 3.2 55.4 1.0 ND2 A:ASN224 3.3 45.8 1.0 OD1 A:ASP269 3.4 45.8 1.0 O A:HOH528 3.7 47.9 1.0 CG A:ASP269 3.7 46.7 1.0 OE2 A:GLU53 3.7 56.5 1.0 OH A:TYR71 3.7 49.3 1.0 ND2 A:ASN168 4.0 41.8 1.0 CZ A:TYR71 4.4 54.6 1.0 OD1 A:ASN168 4.4 48.0 1.0 CE2 A:TYR71 4.5 54.5 1.0 CG A:ASN168 4.6 42.2 1.0 CG A:ASN224 4.6 46.6 1.0 ND2 A:ASN270 4.7 44.8 1.0 OD1 A:ASN270 4.7 47.5 1.0 CD A:GLU53 4.8 50.1 1.0 CG2 A:VAL346 5.0 35.1 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.