Chlorine 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:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Serum Paraoxonase-1 By Directed Evolution with the L69G/H134R/F222S/T332S Mutations, PDB code: 6gmu:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 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 Chlorine with other atoms in the Cl 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:Cl403 b:86.2 occ:1.00 CA A:ASP309 3.4 57.3 1.0 N A:LEU311 3.4 63.8 1.0 C A:ASP309 3.5 55.6 1.0 N A:ILE310 3.5 59.2 1.0 CB A:LEU311 3.7 62.3 1.0 CA A:LEU311 4.0 65.9 1.0 CB A:ASP309 4.0 58.8 1.0 CG A:LEU311 4.1 63.7 1.0 N A:SER312 4.1 67.6 1.0 O A:HOH547 4.1 53.2 1.0 O A:ASP309 4.2 55.7 1.0 OD1 A:ASP309 4.3 66.5 1.0 CD1 A:LEU311 4.4 60.0 1.0 C A:LEU311 4.4 68.3 1.0 C A:ILE310 4.4 56.5 1.0 N A:ASP309 4.5 51.9 1.0 CA A:ILE310 4.6 54.7 1.0 CG A:ASP309 4.6 66.7 1.0 CB A:SER312 4.8 71.5 1.0 OG A:SER312 4.8 67.2 1.0

Chlorine binding site 2 out of 3 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 Chlorine with other atoms in the Cl 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:Cl404 b:34.1 occ:1.00 N A:ASN324 3.5 43.1 1.0 CG A:ASN324 3.6 50.3 1.0 OD1 A:ASN324 3.6 50.7 1.0 ND2 A:ASN324 3.8 49.0 1.0 CG A:PRO36 3.8 46.0 1.0 CA A:GLU323 3.9 35.3 1.0 CB A:PRO36 4.0 39.6 1.0 CB A:ASN324 4.1 40.7 1.0 C A:GLU323 4.2 40.5 1.0 CG A:GLU323 4.2 49.5 1.0 CA A:ASN324 4.4 41.2 1.0 CB A:GLU323 4.5 40.0 1.0 CA A:PRO36 4.6 44.1 1.0 CD A:PRO36 4.9 46.6 1.0 O A:ALA322 5.0 41.0 1.0

Chlorine binding site 3 out of 3 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 Chlorine with other atoms in the Cl binding site number 3 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:Cl405 b:34.2 occ:1.00 N A:GLY301 3.2 35.8 1.0 NH1 A:ARG290 3.5 49.7 1.0 N A:ASN287 3.6 43.8 1.0 CB A:ASN287 3.6 47.2 1.0 CD A:ARG290 3.8 50.6 1.0 CA A:GLY301 3.9 36.1 1.0 CB A:PRO286 4.0 40.7 1.0 CD A:PRO286 4.0 33.6 1.0 C A:PRO300 4.2 41.6 1.0 CA A:ASN287 4.2 41.9 1.0 CG A:PRO286 4.2 40.2 1.0 CA A:PRO300 4.2 42.4 1.0 CG2 A:VAL34 4.2 40.7 1.0 O A:ASN287 4.4 45.5 1.0 N A:PRO286 4.4 36.8 1.0 CZ A:ARG290 4.4 53.2 1.0 C A:PRO286 4.5 44.6 1.0 CB A:ARG290 4.5 48.1 1.0 CG A:ARG290 4.6 52.1 1.0 NE A:ARG290 4.6 51.9 1.0 CA A:PRO286 4.6 41.7 1.0 C A:GLY301 4.6 36.5 1.0 C A:ASN287 4.8 44.9 1.0 CB A:PRO300 4.9 37.8 1.0 O A:PRO299 4.9 50.7 1.0 CG A:ASN287 4.9 47.9 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.