Copper in the structure of Amyotrophic Lateral Sclerosis and Structural Defects in Cu, Zn Superoxide Dismutase (pdb 1spd)

The binding sites of Copper atom in the structure of Amyotrophic Lateral Sclerosis and Structural Defects in Cu, Zn Superoxide Dismutase (pdb code 1spd). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1spd structure was solved by H.E.PARGE, J.A.TAINER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 5.0-2.4 Space group P63 a (A) 113.570 b (A) 113.570 c (A) 71.550 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) n/a Rfree (%) n/a Copper Binding Sites: Copper binding site 1 out of 2 in 1spd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1spd. 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: His46, A: Val47, A: His48, A: His63, A: Val118, A: His120, conact list: Atom Atom Distance (A) Cu NE2 A:His46 3.87 Cu N A:His46 4.86 Cu CB A:His46 2.93 Cu ND1 A:His46 2.05 Cu CD2 A:His46 3.74 Cu CE1 A:His46 3.00 Cu CG A:His46 2.72 Cu CA A:His46 4.46 Cu O A:Val47 4.95 Cu NE2 A:His48 2.13 Cu ND1 A:His48 4.13 Cu CD2 A:His48 3.23 Cu CE1 A:His48 2.94 Cu CG A:His48 4.31 Cu NE2 A:His63 2.09 Cu ND1 A:His63 4.03 Cu CD2 A:His63 3.02 Cu CE1 A:His63 2.96 Cu CG A:His63 4.08 Cu CG1 A:Val118 4.90 Cu NE2 A:His120 2.08 Cu ND1 A:His120 3.70 Cu CD2 A:His120 3.12 Cu CE1 A:His120 2.66 Cu CG A:His120 4.02 interactive model: Copper binding site 2 out of 2 in 1spd Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1spd. 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: His46, B: His48, B: His63, B: Val118, B: His120, B: Thr137, conact list: Atom Atom Distance (A) Cu NE2 B:His46 4.11 Cu CB B:His46 3.27 Cu ND1 B:His46 2.15 Cu CD2 B:His46 4.12 Cu CE1 B:His46 3.06 Cu CG B:His46 3.04 Cu CA B:His46 4.79 Cu NE2 B:His48 2.13 Cu ND1 B:His48 4.05 Cu CD2 B:His48 3.28 Cu CE1 B:His48 2.86 Cu CG B:His48 4.29 Cu NE2 B:His63 2.15 Cu ND1 B:His63 4.16 Cu CD2 B:His63 3.12 Cu CE1 B:His63 2.95 Cu CG B:His63 4.18 Cu CG1 B:Val118 4.53 Cu NE2 B:His120 2.02 Cu ND1 B:His120 3.49 Cu CD2 B:His120 3.07 Cu CE1 B:His120 2.48 Cu CG B:His120 3.80 Cu CG2 B:Thr137 4.98 interactive model: