Bromine in the structure of Crystal Structure of Dehydrosqualene Synthase (Crtm) From S. Aureus Complexed With Bph-1154 (pdb 3tfv)

The binding sites of Bromine atom in the structure of Crystal Structure of Dehydrosqualene Synthase (Crtm) From S. Aureus Complexed With Bph-1154 (pdb code 3tfv). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 3tfv structure was solved by F.-Y.LIN, Y.ZHANG, Y.-L.LIU, E.OLDFIELD, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-3.0 Space group P3221 a (A) 80.999 b (A) 80.999 c (A) 90.737 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 20.8 Rfree (%) 29 Bromine Binding Sites: Bromine binding site 1 out of 1 in 3tfv Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 3tfv. 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: Asp48, A: Thr110, A: Val111, A: Asp114, A: Tyr129, A: 2cn289, conact list: Atom Atom Distance (A) Br OD1 A:Asp48 4.32 Br O A:Thr110 4.94 Br CB A:Val111 4.87 Br CG2 A:Val111 4.28 Br CG1 A:Val111 4.90 Br CA A:Val111 4.70 Br CB A:Asp114 3.89 Br OD2 A:Asp114 3.48 Br OD1 A:Asp114 4.54 Br CG A:Asp114 3.78 Br CE2 A:Tyr129 4.17 Br CZ A:Tyr129 4.60 Br OH A:Tyr129 4.15 Br CBA A:2cn289 4.13 Br BRAD A:2cn289 0.00 Br CAZ A:2cn289 4.61 Br CAW A:2cn289 1.86 Br CAI A:2cn289 4.08 Br CAK A:2cn289 2.85 Br CAG A:2cn289 2.78 interactive model: