Copper in the structure of X-Ray 3D Structure of P.Leiognathi Cu,Zn Sod Mutant W83F (pdb 1ibb)

The binding sites of Copper atom in the structure of X-Ray 3D Structure of P.Leiognathi Cu,Zn Sod Mutant W83F (pdb code 1ibb). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1ibb structure was solved by M.E.STROPPOLO, A.PESCE, M.D'ORAZIO, P.O'NEILL, D.BORDO, C.ROSANO, M.MILANI, A.BATTISTONI, M.BOLOGNESI, A.DESIDERI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-2.1 Space group H32 a (A) 87.120 b (A) 87.120 c (A) 98.392 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 17.7 Rfree (%) 21 Copper Binding Sites: Copper binding site 1 out of 1 in 1ibb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1ibb. 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: Hoh209, A: Hoh223, conact list: Atom Atom Distance (A) Cu O A:His45 4.70 Cu NE2 A:His45 4.10 Cu N A:His45 4.46 Cu CB A:His45 3.50 Cu ND1 A:His45 2.12 Cu CD2 A:His45 4.19 Cu C A:His45 4.78 Cu CE1 A:His45 2.99 Cu CG A:His45 3.13 Cu CA A:His45 4.45 Cu NE2 A:His47 2.24 Cu ND1 A:His47 4.33 Cu CD2 A:His47 3.14 Cu CE1 A:His47 3.25 Cu CG A:His47 4.31 Cu NE2 A:His70 2.70 Cu ND1 A:His70 4.66 Cu CD2 A:His70 3.23 Cu CE1 A:His70 3.78 Cu CG A:His70 4.42 Cu CB A:Met123 3.98 Cu CG A:Met123 4.25 Cu NE2 A:His125 2.14 Cu ND1 A:His125 4.16 Cu CD2 A:His125 3.08 Cu CE1 A:His125 3.09 Cu CG A:His125 4.19 Cu O A:Hoh209 3.61 Cu O A:Hoh223 4.25 interactive model: