Copper in the structure of Cu/Zn Superoxide Dismutase From Neisseria Meningitidis E73A Mutant (pdb 2aqp)

The binding sites of Copper atom in the structure of Cu/Zn Superoxide Dismutase From Neisseria Meningitidis E73A Mutant (pdb code 2aqp). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2aqp structure was solved by M.DIDONATO, C.J.KASSMANN, C.K.BRUNS, D.E.CABELLI, Z.CAO, L.B.TABATABAI, J.S.KROLL, E.D.GETZOFF, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.0-1.3 Space group C121 a (A) 145.874 b (A) 48.697 c (A) 49.042 alpha (°) 90.00 beta (°) 109.57 gamma (°) 90.00 Rfactor (%) 13.5 Rfree (%) 18.3 Copper Binding Sites: Copper binding site 1 out of 3 in 2aqp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2aqp. 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: His79, A: His81, A: His104, A: Met158, A: His160, A: Hoh461, A: Hoh638, conact list: Atom Atom Distance (A) Cu O A:His79 4.62 Cu NE2 A:His79 4.08 Cu N A:His79 4.33 Cu CB A:His79 3.36 Cu ND1 A:His79 1.94 Cu CD2 A:His79 4.09 Cu C A:His79 4.73 Cu CE1 A:His79 2.94 Cu CG A:His79 2.96 Cu CA A:His79 4.32 Cu NE2 A:His81 1.93 Cu ND1 A:His81 4.05 Cu CD2 A:His81 2.96 Cu CE1 A:His81 2.92 Cu CG A:His81 4.13 Cu NE2 A:His104 3.18 Cu ND1 A:His104 4.73 Cu CD2 A:His104 3.58 Cu CE1 A:His104 4.01 Cu CG A:His104 4.54 Cu O A:Met158 4.75 Cu CB A:Met158 3.81 Cu CG A:Met158 4.03 Cu NE2 A:His160 2.03 Cu ND1 A:His160 4.15 Cu CD2 A:His160 2.96 Cu CE1 A:His160 3.05 Cu CG A:His160 4.14 Cu O A:Hoh461 4.00 Cu O A:Hoh638 4.02 interactive model: Copper binding site 2 out of 3 in 2aqp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2aqp. 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: Glu57, A: Lys147, A: His148, A: Hoh625, A: Hoh713, A: Hoh714, A: Hoh755, A: Hoh779, conact list: Atom Atom Distance (A) Cu OE1 A:Glu57 4.08 Cu OE2 A:Glu57 3.37 Cu CD A:Glu57 3.97 Cu O A:Lys147 4.32 Cu NE2 A:His148 4.28 Cu N A:His148 4.95 Cu CB A:His148 3.52 Cu ND1 A:His148 2.24 Cu CD2 A:His148 4.35 Cu CE1 A:His148 3.13 Cu CG A:His148 3.26 Cu CA A:His148 4.01 Cu O A:Hoh625 4.91 Cu O A:Hoh713 4.39 Cu O A:Hoh714 4.31 Cu O A:Hoh755 3.85 Cu O A:Hoh779 2.01 interactive model: Copper binding site 3 out of 3 in 2aqp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 2aqp. 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: His79, B: His81, B: His104, B: Met158, B: His160, B: Hoh449, B: Hoh672, conact list: Atom Atom Distance (A) Cu O B:His79 4.60 Cu NE2 B:His79 4.11 Cu N B:His79 4.36 Cu CB B:His79 3.32 Cu ND1 B:His79 1.97 Cu CD2 B:His79 4.13 Cu C B:His79 4.75 Cu CE1 B:His79 3.00 Cu CG B:His79 2.98 Cu CA B:His79 4.32 Cu NE2 B:His81 1.91 Cu ND1 B:His81 4.06 Cu CD2 B:His81 2.94 Cu CE1 B:His81 2.93 Cu CG B:His81 4.11 Cu NE2 B:His104 3.19 Cu ND1 B:His104 4.67 Cu CD2 B:His104 3.56 Cu CE1 B:His104 3.99 Cu CG B:His104 4.48 Cu O B:Met158 4.77 Cu CB B:Met158 3.82 Cu CG B:Met158 4.07 Cu NE2 B:His160 2.05 Cu ND1 B:His160 4.16 Cu CD2 B:His160 2.97 Cu CE1 B:His160 3.10 Cu CG B:His160 4.14 Cu O B:Hoh449 4.01 Cu O B:Hoh672 4.07 interactive model: