Bromine in the structure of Crystal Structure of Tomato Methylketone Synthase I Complexed With 3- Hydroxyoctanoate (pdb 3stv)

The binding sites of Bromine atom in the structure of Crystal Structure of Tomato Methylketone Synthase I Complexed With 3- Hydroxyoctanoate (pdb code 3stv). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 3stv structure was solved by M.E.AULDRIDGE, M.B.AUSTIN, J.P.NOEL, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.6-2.2 Space group P1211 a (A) 48.038 b (A) 92.380 c (A) 60.596 alpha (°) 90.00 beta (°) 97.56 gamma (°) 90.00 Rfactor (%) 20.2 Rfree (%) 23.6 Bromine Binding Sites: Bromine binding site 1 out of 1 in 3stv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 3stv. 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: B: Thr18, B: Ala19, B: Ala87, B: Leu88, B: Val132, B: His243, B: Hoh352, conact list: Atom Atom Distance (A) Br CB B:Thr18 4.39 Br CG2 B:Thr18 4.24 Br OG1 B:Thr18 3.37 Br N B:Ala19 4.80 Br CB B:Ala19 4.64 Br CB B:Ala87 3.92 Br N B:Leu88 4.82 Br CG2 B:Val132 4.76 Br NE2 B:His243 3.40 Br CD2 B:His243 4.18 Br CE1 B:His243 4.35 Br O B:Hoh352 3.35 interactive model: