Copper in the structure of Glutathione S-Transferase (pdb 1r5a)

The binding sites of Copper atom in the structure of Glutathione S-Transferase (pdb code 1r5a). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1r5a structure was solved by A.J.OAKLEY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.5 Space group I4122 a (A) 122.129 b (A) 122.129 c (A) 74.699 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 23.3 Rfree (%) 26.5 Copper Binding Sites: Copper binding site 1 out of 3 in 1r5a Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1r5a. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Copper atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Thr2, A: Thr3, A: His60, A: Hoh1013, conact list: Atom Atom Distance (A) Cu O A:Thr2 2.71 Cu N A:Thr2 2.48 Cu CB A:Thr2 4.38 Cu CG2 A:Thr2 4.93 Cu OG1 A:Thr2 4.15 Cu C A:Thr2 3.32 Cu CA A:Thr2 3.45 Cu N A:Thr3 4.47 Cu NE2 A:His60 1.89 Cu ND1 A:His60 3.90 Cu CD2 A:His60 3.03 Cu CE1 A:His60 2.72 Cu CG A:His60 4.07 Cu O A:Hoh1013 4.19 interactive model: Copper binding site 2 out of 3 in 1r5a Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1r5a. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Copper atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Lys144, A: Arg180, conact list: Atom Atom Distance (A) Cu CE A:Lys144 3.24 Cu CD A:Lys144 4.36 Cu CG A:Lys144 4.84 Cu NZ A:Lys144 3.14 Cu CD A:Arg180 4.64 Cu CZ A:Arg180 4.42 Cu NE A:Arg180 4.82 Cu NH1 A:Arg180 3.66 interactive model: Copper binding site 3 out of 3 in 1r5a Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 1r5a. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Copper atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Glu193, A: His195, A: Gly196, A: Tyr197, A: Lys198, A: Glu199, conact list: Atom Atom Distance (A) Cu O A:Glu193 3.13 Cu C A:Glu193 4.31 Cu C A:His195 4.93 Cu O A:Gly196 4.39 Cu N A:Gly196 3.63 Cu C A:Gly196 3.64 Cu CA A:Gly196 3.35 Cu N A:Tyr197 3.69 Cu C A:Tyr197 4.59 Cu CA A:Tyr197 4.66 Cu N A:Lys198 3.78 Cu CB A:Lys198 3.90 Cu C A:Lys198 4.69 Cu CA A:Lys198 4.35 Cu N A:Glu199 3.92 Cu OE1 A:Glu199 4.83 Cu CB A:Glu199 4.33 Cu CA A:Glu199 4.80 interactive model: