Copper in the structure of Active Site Copper and Zinc Ions Modulate the Quaternary Structure of Prokaryotic Cu,Zn Superoxide Dismutase (pdb 1oal)

The binding sites of Copper atom in the structure of Active Site Copper and Zinc Ions Modulate the Quaternary Structure of Prokaryotic Cu,Zn Superoxide Dismutase (pdb code 1oal). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1oal structure was solved by P.CIONI, A.PESCE, B.M.D.ROCCA, L.CASTELLIFALCONIPARRILLI, M.BOLOGNESI, G.STRAMBINI, A.DESIDERI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-1.5 Space group H32 a (A) 86.100 b (A) 86.100 c (A) 97.800 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 15.6 Rfree (%) 19.4 Copper Binding Sites: Copper binding site 1 out of 1 in 1oal Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1oal. 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: His45, A: His47, A: His70, A: Met123, A: His125, A: Hoh2048, A: Hoh2091, conact list: Atom Atom Distance (A) Cu O A:His45 4.53 Cu NE2 A:His45 4.05 Cu N A:His45 4.30 Cu CB A:His45 3.36 Cu ND1 A:His45 1.97 Cu CD2 A:His45 4.11 Cu C A:His45 4.68 Cu CE1 A:His45 2.93 Cu CG A:His45 3.01 Cu CA A:His45 4.31 Cu NE2 A:His47 1.94 Cu ND1 A:His47 4.01 Cu CD2 A:His47 2.99 Cu CE1 A:His47 2.87 Cu CG A:His47 4.10 Cu NE2 A:His70 3.17 Cu ND1 A:His70 4.76 Cu CD2 A:His70 3.57 Cu CE1 A:His70 4.03 Cu CG A:His70 4.54 Cu O A:Met123 4.71 Cu CB A:Met123 3.73 Cu CG A:Met123 4.05 Cu CA A:Met123 4.98 Cu NE2 A:His125 1.99 Cu ND1 A:His125 4.09 Cu CD2 A:His125 2.94 Cu CE1 A:His125 3.02 Cu CG A:His125 4.08 Cu O A:Hoh2048 3.70 Cu O A:Hoh2091 4.50 interactive model: