Bromine in PDB 6h0a: Serum Paraoxonase-1 By Directed Evolution with the L69G/H115W/H134R/F222S/T332S Mutations

The structure of Serum Paraoxonase-1 By Directed Evolution with the L69G/H115W/H134R/F222S/T332S Mutations, PDB code: 6h0a 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)	47.23 / 2.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	94.457, 94.457, 141.604, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 20.6

The structure of Serum Paraoxonase-1 By Directed Evolution with the L69G/H115W/H134R/F222S/T332S Mutations also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Bromine atom in the Serum Paraoxonase-1 By Directed Evolution with the L69G/H115W/H134R/F222S/T332S Mutations (pdb code 6h0a). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Serum Paraoxonase-1 By Directed Evolution with the L69G/H115W/H134R/F222S/T332S Mutations, PDB code: 6h0a:

Bromine binding site 1 out of 1 in the Serum Paraoxonase-1 By Directed Evolution with the L69G/H115W/H134R/F222S/T332S Mutations


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Serum Paraoxonase-1 By Directed Evolution with the L69G/H115W/H134R/F222S/T332S Mutations within 5.0Å range: probe atom residue distance (Å) B Occ A:Br406 b:32.0 occ:0.68 O A:HOH677 3.1 34.0 1.0 O A:HOH553 3.2 27.0 1.0 N A:GLY301 3.2 30.1 1.0 NH1 A:ARG290 3.5 33.5 1.0 N A:ASN287 3.6 26.9 1.0 CB A:ASN287 3.7 31.4 1.0 CD A:ARG290 3.8 37.0 1.0 CA A:GLY301 3.8 27.2 1.0 CB A:PRO286 3.9 28.5 1.0 CD A:PRO286 4.0 25.9 1.0 CG2 A:VAL34 4.0 28.6 1.0 CG A:PRO286 4.1 26.7 1.0 C A:PRO300 4.2 25.4 1.0 CA A:ASN287 4.2 31.5 1.0 CA A:PRO300 4.3 31.1 1.0 N A:PRO286 4.4 25.2 1.0 C A:PRO286 4.5 28.4 1.0 CZ A:ARG290 4.5 38.9 1.0 CA A:PRO286 4.5 29.0 1.0 O A:ASN287 4.5 29.5 1.0 CG A:ARG290 4.5 36.2 1.0 C A:GLY301 4.5 31.9 1.0 CB A:ARG290 4.6 34.5 1.0 NE A:ARG290 4.6 42.2 1.0 O A:HOH501 4.7 34.5 1.0 O A:HOH558 4.8 27.0 1.0 O A:GLY301 4.9 28.0 1.0 C A:ASN287 4.9 26.5 1.0 O A:PRO299 4.9 35.5 1.0

M.Ben-David, D.S.Tawfik, J.L.Sussman. An Epistatic Ratchet Versus A Reversible Transition in the Evolution of Enzyme Function To Be Published.