Bromine in the structure of Crystal Structure of Spin Labeled T4 Lysozyme (V131R7) (pdb 2a4t)

The binding sites of Bromine atom in the structure of Crystal Structure of Spin Labeled T4 Lysozyme (V131R7) (pdb code 2a4t). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 2a4t structure was solved by M.R.FLEISSNER, D.CASCIO, M.R.SAWAYA, K.HIDEG, W.L.HUBBELL, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 51.8-1.7 Space group P3221 a (A) 59.807 b (A) 59.807 c (A) 95.580 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 17.9 Rfree (%) 21.5 Bromine Binding Sites: Bromine binding site 1 out of 2 in 2a4t Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 2a4t. 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: R7a131, A: Hoh280, A: Hoh392, conact list: Atom Atom Distance (A) Br C9 A:R7a131 4.99 Br C9 A:R7a131 3.63 Br O1 A:R7a131 3.79 Br SD A:R7a131 3.75 Br SD A:R7a131 3.46 Br C8 A:R7a131 1.75 Br C2 A:R7a131 4.20 Br C2 A:R7a131 2.17 Br C6 A:R7a131 3.60 Br C6 A:R7a131 2.57 Br N1 A:R7a131 4.17 Br N1 A:R7a131 2.63 Br C5 A:R7a131 3.04 Br C5 A:R7a131 2.63 Br BR4 A:R7a131 0.00 Br BR4 A:R7a131 3.99 Br C7 A:R7a131 3.42 Br C7 A:R7a131 4.26 Br CE A:R7a131 3.28 Br CE A:R7a131 3.03 Br C4 A:R7a131 1.92 Br C4 A:R7a131 2.46 Br SG A:R7a131 4.91 Br SG A:R7a131 3.52 Br C3 A:R7a131 2.89 Br C3 A:R7a131 2.13 Br O A:Hoh280 4.58 Br O A:Hoh392 3.96 interactive model: Bromine binding site 2 out of 2 in 2a4t Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 2a4t. 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: R7a131, conact list: Atom Atom Distance (A) Br C9 A:R7a131 1.40 Br O1 A:R7a131 3.76 Br SD A:R7a131 3.51 Br SD A:R7a131 4.90 Br C8 A:R7a131 2.58 Br C2 A:R7a131 1.55 Br C2 A:R7a131 4.22 Br C6 A:R7a131 4.56 Br C6 A:R7a131 3.63 Br N1 A:R7a131 2.77 Br N1 A:R7a131 4.20 Br C5 A:R7a131 3.38 Br C5 A:R7a131 3.08 Br BR4 A:R7a131 3.99 Br BR4 A:R7a131 0.00 Br C7 A:R7a131 4.31 Br C7 A:R7a131 3.47 Br CE A:R7a131 1.90 Br CE A:R7a131 3.20 Br C4 A:R7a131 2.60 Br C4 A:R7a131 1.93 Br SG A:R7a131 4.94 Br C3 A:R7a131 1.48 Br C3 A:R7a131 2.89 interactive model: