Copper in the structure of X-Ray Crystal Structure of An Alvinella Pompejana Cu,Zn Superoxide Dismutase- Hydrogen Peroxide Complex (pdb 3f7k)

The binding sites of Copper atom in the structure of X-Ray Crystal Structure of An Alvinella Pompejana Cu,Zn Superoxide Dismutase- Hydrogen Peroxide Complex (pdb code 3f7k). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 3f7k structure was solved by D.S.SHIN, M.DIDONATO, D.P.BARONDEAU, E.D.GETZOFF, J.A.TAINER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 45.0-1.4 Space group P6122 a (A) 62.563 b (A) 62.563 c (A) 163.745 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 12.8 Rfree (%) 17.6 Copper Binding Sites: Copper binding site 1 out of 2 in 3f7k Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 3f7k. 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: Cu202, A: Peo209, A: Hoh301, conact list: Atom Atom Distance (A) Cu C A:Phe43 4.93 Cu O A:His44 4.56 Cu NE2 A:His44 4.12 Cu N A:His44 4.11 Cu CB A:His44 3.40 Cu ND1 A:His44 2.02 Cu CD2 A:His44 4.18 Cu C A:His44 4.69 Cu CE1 A:His44 2.99 Cu CG A:His44 3.04 Cu CA A:His44 4.23 Cu NE2 A:His46 1.94 Cu ND1 A:His46 4.07 Cu CD2 A:His46 2.99 Cu CE1 A:His46 2.90 Cu CG A:His46 4.12 Cu NE2 A:His61 3.35 Cu ND1 A:His61 4.99 Cu CD2 A:His61 3.66 Cu CE1 A:His61 4.26 Cu CG A:His61 4.69 Cu O A:Val116 4.24 Cu CB A:Val116 3.88 Cu CG2 A:Val116 4.65 Cu C A:Val116 4.77 Cu CG1 A:Val116 4.11 Cu CA A:Val116 4.89 Cu NE2 A:His118 2.01 Cu ND1 A:His118 4.16 Cu CD2 A:His118 2.95 Cu CE1 A:His118 3.08 Cu CG A:His118 4.12 Cu CU A:Cu202 0.98 Cu O1 A:Peo209 4.61 Cu O2 A:Peo209 3.47 Cu O A:Hoh301 3.78 interactive model: Copper binding site 2 out of 2 in 3f7k Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 3f7k. 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: His44, A: His46, A: His61, A: Val116, A: His118, A: Cu1201, A: Peo209, A: Hoh301, A: Hoh302, A: Hoh303, conact list: Atom Atom Distance (A) Cu NE2 A:His44 3.77 Cu N A:His44 4.68 Cu CB A:His44 3.56 Cu ND1 A:His44 1.90 Cu CD2 A:His44 3.95 Cu CE1 A:His44 2.65 Cu CG A:His44 2.97 Cu CA A:His44 4.66 Cu NE2 A:His46 2.33 Cu ND1 A:His46 4.22 Cu CD2 A:His46 3.48 Cu CE1 A:His46 2.99 Cu CG A:His46 4.46 Cu NE2 A:His61 2.43 Cu ND1 A:His61 4.21 Cu CD2 A:His61 2.94 Cu CE1 A:His61 3.37 Cu CG A:His61 4.01 Cu CB A:Val116 4.81 Cu CG1 A:Val116 4.94 Cu NE2 A:His118 2.28 Cu ND1 A:His118 4.24 Cu CD2 A:His118 3.28 Cu CE1 A:His118 3.13 Cu CG A:His118 4.33 Cu CU A:Cu1201 0.98 Cu O1 A:Peo209 4.04 Cu O2 A:Peo209 2.75 Cu O A:Hoh301 3.01 Cu O A:Hoh302 4.89 Cu O A:Hoh303 4.96 interactive model: