Bromine in the structure of Hiv-1 Protease in Complex With Amidhyroxysulfone (pdb 1xl5)

The binding sites of Bromine atom in the structure of Hiv-1 Protease in Complex With Amidhyroxysulfone (pdb code 1xl5). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 1xl5 structure was solved by J.BOETTCHER, E.SPECKER, A.HEINE, G.KLEBE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-1.7 Space group P21212 a (A) 57.900 b (A) 85.800 c (A) 46.800 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.1 Rfree (%) 24.7 Bromine Binding Sites: Bromine binding site 1 out of 1 in 1xl5 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 1xl5. 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: Arg8, A: Leu23, A: Val82, B: Gly27, B: 1901001, B: Hoh2627, conact list: Atom Atom Distance (A) Br CD A:Arg8 4.89 Br CZ A:Arg8 3.71 Br NE A:Arg8 4.33 Br NH2 A:Arg8 3.86 Br NH1 A:Arg8 3.59 Br CD2 A:Leu23 4.45 Br CB A:Val82 4.51 Br CG2 A:Val82 4.89 Br CG1 A:Val82 3.97 Br O B:Gly27 4.68 Br BR17 B:1901001 0.00 Br C44 B:1901001 2.87 Br C46 B:1901001 2.78 Br C45 B:1901001 1.87 Br C42 B:1901001 4.65 Br C43 B:1901001 4.18 Br C7 B:1901001 3.87 Br C15 B:1901001 4.09 Br O B:Hoh2627 3.60 interactive model: