Bromine in the structure of Human Peroxiredoxin 5 (pdb 1hd2)

The binding sites of Bromine atom in the structure of Human Peroxiredoxin 5 (pdb code 1hd2). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 1hd2 structure was solved by J.P.DECLERCQ, C.EVRARD, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 16.0-1.5 Space group P41212 a (A) 66.607 b (A) 66.607 c (A) 123.327 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 13.25 Rfree (%) 16.45 Bromine Binding Sites: Bromine binding site 1 out of 5 in 1hd2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 1hd2. 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: Ser118, conact list: Atom Atom Distance (A) Br CB A:Ser118 3.74 Br OG A:Ser118 3.20 interactive model: Bromine binding site 2 out of 5 in 1hd2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 1hd2. 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: Thr50, A: Gly54, A: Leu153, A: Ala154, A: Pro155, A: Hoh2050, A: Hoh2086, A: Hoh2088, A: Hoh2101, conact list: Atom Atom Distance (A) Br O A:Thr50 3.96 Br CG2 A:Thr50 4.30 Br C A:Thr50 4.81 Br N A:Gly54 4.65 Br C A:Gly54 4.80 Br CA A:Gly54 3.80 Br CB A:Leu153 4.08 Br CD1 A:Leu153 4.19 Br CD2 A:Leu153 4.76 Br CG A:Leu153 4.56 Br CA A:Leu153 5.00 Br N A:Ala154 4.51 Br CB A:Ala154 4.94 Br CD A:Pro155 3.70 Br CG A:Pro155 4.21 Br O A:Hoh2050 3.10 Br O A:Hoh2086 3.28 Br O A:Hoh2088 3.32 Br O A:Hoh2101 3.16 interactive model: Bromine binding site 3 out of 5 in 1hd2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Bromine in the PDB 1hd2. 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: Gly148, A: Leu149, A: Thr150, A: Hoh2207, conact list: Atom Atom Distance (A) Br C A:Gly148 4.12 Br CA A:Gly148 3.81 Br O A:Leu149 4.49 Br N A:Leu149 3.36 Br CB A:Leu149 4.38 Br C A:Leu149 4.57 Br CG A:Leu149 4.95 Br CA A:Leu149 4.29 Br CG2 A:Thr150 4.38 Br O A:Hoh2207 4.53 interactive model: Bromine binding site 4 out of 5 in 1hd2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Bromine in the PDB 1hd2. 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: Gly85, A: Arg86, A: Lys89, A: Ala90, A: Glu91, A: Hoh2067, A: Hoh2127, A: Hoh2129, A: Hoh2138, A: Hoh2139, A: Hoh2140, conact list: Atom Atom Distance (A) Br O A:Gly85 4.11 Br C A:Gly85 4.61 Br O A:Arg86 4.22 Br N A:Arg86 4.52 Br CB A:Arg86 4.39 Br C A:Arg86 4.46 Br CG A:Arg86 4.18 Br CA A:Arg86 3.76 Br O A:Lys89 4.70 Br N A:Lys89 4.34 Br CB A:Lys89 4.96 Br C A:Lys89 3.88 Br CA A:Lys89 3.75 Br N A:Ala90 3.65 Br C A:Ala90 4.38 Br CA A:Ala90 4.54 Br N A:Glu91 3.38 Br OE1 A:Glu91 4.63 Br CB A:Glu91 3.54 Br CG A:Glu91 4.87 Br CA A:Glu91 4.06 Br O A:Hoh2067 3.69 Br O A:Hoh2127 4.57 Br O A:Hoh2129 3.12 Br O A:Hoh2138 3.24 Br O A:Hoh2139 3.41 Br O A:Hoh2140 4.94 interactive model: Bromine binding site 5 out of 5 in 1hd2 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Bromine in the PDB 1hd2. 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: Leu112, A: Asp113, A: Asp114, A: Ser115, A: Leu116, A: Hoh2167, A: Hoh2173, A: Hoh2174, conact list: Atom Atom Distance (A) Br CB A:Leu112 3.94 Br CD2 A:Leu112 4.32 Br C A:Leu112 4.41 Br CG A:Leu112 4.67 Br CA A:Leu112 4.57 Br O A:Asp113 4.01 Br N A:Asp113 3.45 Br CB A:Asp113 3.91 Br OD2 A:Asp113 4.71 Br C A:Asp113 3.79 Br CG A:Asp113 4.76 Br CA A:Asp113 3.88 Br N A:Asp114 4.18 Br C A:Asp114 4.62 Br CA A:Asp114 4.97 Br N A:Ser115 3.61 Br CB A:Ser115 3.69 Br OG A:Ser115 3.78 Br C A:Ser115 4.63 Br CA A:Ser115 4.14 Br N A:Leu116 4.27 Br CB A:Leu116 4.96 Br CD1 A:Leu116 4.68 Br CG A:Leu116 4.27 Br O A:Hoh2167 3.26 Br O A:Hoh2173 4.97 Br O A:Hoh2174 3.93 interactive model: