Bromine in the structure of Crystal Structure of P-Bromo-L-Phenylalanine-Trna Sythetase in Complex With P-Bromo-L-Phenylalanine (pdb 2ag6)

The binding sites of Bromine atom in the structure of Crystal Structure of P-Bromo-L-Phenylalanine-Trna Sythetase in Complex With P-Bromo-L-Phenylalanine (pdb code 2ag6). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 2ag6 structure was solved by J.M.TURNER, J.GRAZIANO, G.SPRAGGON, P.G.SCHULTZ, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 72.5-1.9 Space group P43212 a (A) 102.719 b (A) 102.719 c (A) 70.598 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.9 Rfree (%) 24.7 Bromine Binding Sites: Bromine binding site 1 out of 1 in 2ag6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 2ag6. 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: Leu32, A: Leu65, A: His70, A: Gln155, A: His160, A: Tyr161, A: 4bf315, A: Hoh333, conact list: Atom Atom Distance (A) Br CD2 A:Leu32 4.44 Br CD2 A:Leu65 3.73 Br CE1 A:His70 5.00 Br O A:Gln155 3.74 Br CB A:Gln155 4.55 Br CD A:Gln155 4.79 Br C A:Gln155 4.42 Br CG A:Gln155 4.02 Br CA A:Gln155 4.20 Br NE2 A:His160 4.03 Br CB A:His160 3.91 Br ND1 A:His160 3.54 Br CD2 A:His160 3.82 Br CE1 A:His160 3.87 Br CG A:His160 3.49 Br CE2 A:Tyr161 4.70 Br CZ A:Tyr161 4.16 Br CE1 A:Tyr161 4.73 Br OH A:Tyr161 3.54 Br CE2 A:4bf315 2.75 Br CD1 A:4bf315 4.03 Br CD2 A:4bf315 4.05 Br CZ A:4bf315 1.84 Br BR A:4bf315 0.00 Br CE1 A:4bf315 2.76 Br CG A:4bf315 4.53 Br O A:Hoh333 4.15 interactive model: