Copper in the structure of High Pressure (0.57 Gpa) Crystal Structure of Bovine Copper, Zinc Superoxide Dismutase At 2.0 Angstroms (pdb 3hw7)

The binding sites of Copper atom in the structure of High Pressure (0.57 Gpa) Crystal Structure of Bovine Copper, Zinc Superoxide Dismutase At 2.0 Angstroms (pdb code 3hw7). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 3hw7 structure was solved by I.ASCONE, C.SAVINO, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.9-2.0 Space group P212121 a (A) 46.845 b (A) 50.509 c (A) 146.377 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.2 Rfree (%) 21.8 Copper Binding Sites: Copper binding site 1 out of 3 in 3hw7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 3hw7. 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: Phe43, A: His44, A: His46, A: His61, A: Val116, A: His118, A: Hoh214, A: Hoh221, conact list: Atom Atom Distance (A) Cu C A:Phe43 4.93 Cu O A:His44 4.30 Cu NE2 A:His44 4.07 Cu N A:His44 4.05 Cu CB A:His44 3.37 Cu ND1 A:His44 2.02 Cu CD2 A:His44 4.12 Cu C A:His44 4.55 Cu CE1 A:His44 2.97 Cu CG A:His44 3.02 Cu CA A:His44 4.17 Cu NE2 A:His46 2.05 Cu ND1 A:His46 4.15 Cu CD2 A:His46 3.00 Cu CE1 A:His46 3.06 Cu CG A:His46 4.16 Cu NE2 A:His61 3.42 Cu ND1 A:His61 4.93 Cu CD2 A:His61 3.58 Cu CE1 A:His61 4.31 Cu CG A:His61 4.57 Cu O A:Val116 4.23 Cu CB A:Val116 3.84 Cu CG2 A:Val116 4.68 Cu C A:Val116 4.73 Cu CG1 A:Val116 4.04 Cu CA A:Val116 4.86 Cu NE2 A:His118 2.03 Cu ND1 A:His118 4.14 Cu CD2 A:His118 2.94 Cu CE1 A:His118 3.07 Cu CG A:His118 4.11 Cu O A:Hoh214 4.20 Cu O A:Hoh221 3.94 interactive model: Copper binding site 2 out of 3 in 3hw7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 3hw7. 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: B: Phe43, B: His44, B: His46, B: His61, B: Val116, B: His118, B: Cu153, B: Hoh398, conact list: Atom Atom Distance (A) Cu C B:Phe43 4.94 Cu O B:His44 4.27 Cu NE2 B:His44 4.26 Cu N B:His44 4.05 Cu CB B:His44 3.06 Cu ND1 B:His44 2.12 Cu CD2 B:His44 4.15 Cu C B:His44 4.46 Cu CE1 B:His44 3.24 Cu CG B:His44 2.94 Cu CA B:His44 4.05 Cu NE2 B:His46 1.90 Cu ND1 B:His46 4.03 Cu CD2 B:His46 2.77 Cu CE1 B:His46 2.99 Cu CG B:His46 3.96 Cu NE2 B:His61 3.20 Cu CD2 B:His61 3.60 Cu CE1 B:His61 4.26 Cu CG B:His61 4.78 Cu O B:Val116 4.15 Cu CB B:Val116 3.74 Cu CG2 B:Val116 4.64 Cu C B:Val116 4.64 Cu CG1 B:Val116 3.80 Cu CA B:Val116 4.76 Cu NE2 B:His118 1.91 Cu ND1 B:His118 4.03 Cu CD2 B:His118 2.82 Cu CE1 B:His118 2.97 Cu CG B:His118 4.00 Cu CU B:Cu153 1.36 Cu O B:Hoh398 3.65 interactive model: Copper binding site 3 out of 3 in 3hw7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 3hw7. 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: B: His44, B: His46, B: His61, B: Val116, B: His118, B: Cu1152, B: Hoh225, B: Hoh398, conact list: Atom Atom Distance (A) Cu NE2 B:His44 3.94 Cu N B:His44 4.93 Cu CB B:His44 3.43 Cu ND1 B:His44 2.01 Cu CD2 B:His44 4.02 Cu CE1 B:His44 2.86 Cu CG B:His44 3.00 Cu CA B:His44 4.73 Cu NE2 B:His46 2.23 Cu ND1 B:His46 4.06 Cu CD2 B:His46 3.36 Cu CE1 B:His46 2.89 Cu CG B:His46 4.32 Cu NE2 B:His61 2.01 Cu ND1 B:His61 4.05 Cu CD2 B:His61 2.73 Cu CE1 B:His61 3.10 Cu CG B:His61 3.91 Cu CB B:Val116 4.99 Cu CG1 B:Val116 4.92 Cu NE2 B:His118 2.31 Cu ND1 B:His118 4.15 Cu CD2 B:His118 3.35 Cu CE1 B:His118 3.04 Cu CG B:His118 4.33 Cu CU B:Cu1152 1.36 Cu O B:Hoh225 4.72 Cu O B:Hoh398 2.56 interactive model: