Bromine in the structure of Serum Paraoxonase-1 By Directed Evolution At pH 6.5 in Complex With 2- Hydroxyquinoline (pdb 3srg)

The binding sites of Bromine atom in the structure of Serum Paraoxonase-1 By Directed Evolution At pH 6.5 in Complex With 2- Hydroxyquinoline (pdb code 3srg). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 3srg structure was solved by M.BEN DAVID, M.ELIAS, I.SILMAN, J.L.SUSSMAN, D.S.TAWFIK, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 46.8-2.2 Space group P43212 a (A) 93.544 b (A) 93.544 c (A) 144.621 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.2 Rfree (%) 22.7 Bromine Binding Sites: Bromine binding site 1 out of 1 in 3srg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 3srg. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asn60, A: Leu62, A: Asp89, A: Asn91, A: Glu148, conact list: Atom Atom Distance (A) Br O A:Asn60 4.25 Br CB A:Asn60 4.77 Br ND2 A:Asn60 4.32 Br CG A:Asn60 4.59 Br CD1 A:Leu62 4.87 Br CD2 A:Leu62 4.34 Br CG A:Leu62 4.46 Br OD2 A:Asp89 4.19 Br OD1 A:Asp89 4.66 Br CG A:Asp89 4.75 Br OD1 A:Asn91 4.24 Br OE2 A:Glu148 4.10 interactive model: