Bromine in the structure of Hiv-1 K103N Reverse Transcriptase in Complex With TMC125 (pdb 3med)

The binding sites of Bromine atom in the structure of Hiv-1 K103N Reverse Transcriptase in Complex With TMC125 (pdb code 3med). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 3med structure was solved by E.B.LANSDON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.8-2.5 Space group C2221 a (A) 119.598 b (A) 153.973 c (A) 153.445 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 25.3 Rfree (%) 30.3 Bromine Binding Sites: Bromine binding site 1 out of 1 in 3med Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 3med. 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: Val179, A: Ile180, A: Tyr181, B: Glu138, A: 65b561, conact list: Atom Atom Distance (A) Br CB A:Val179 4.55 Br CG2 A:Val179 3.40 Br CG1 A:Val179 4.53 Br O A:Ile180 4.23 Br N A:Ile180 4.79 Br C A:Ile180 4.39 Br N A:Tyr181 4.48 Br CB A:Tyr181 3.89 Br CD1 A:Tyr181 4.93 Br CG A:Tyr181 4.76 Br CA A:Tyr181 4.53 Br O B:Glu138 4.58 Br OE1 B:Glu138 3.95 Br CB B:Glu138 3.98 Br CD B:Glu138 4.15 Br CG B:Glu138 3.85 Br CA B:Glu138 4.79 Br C11 A:65b561 4.77 Br C1 A:65b561 4.52 Br N18 A:65b561 3.22 Br C14 A:65b561 1.90 Br N12 A:65b561 4.20 Br N16 A:65b561 4.26 Br C13 A:65b561 2.89 Br O17 A:65b561 3.14 Br BR A:65b561 0.00 Br C15 A:65b561 2.94 Br C6' A:65b561 4.87 interactive model: