Copper in the structure of Structure of Metal Loaded Pathogenic SOD1 Mutant G93A. (pdb 2wko)

The binding sites of Copper atom in the structure of Structure of Metal Loaded Pathogenic SOD1 Mutant G93A. (pdb code 2wko). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2wko structure was solved by S.V.ANTONYUK, A.GALALELDEEN, R.STRANGE, L.WHITSON, N.NARAYANA, A.TAYLOR, J.P.SCHUERMANN, S.P.HOLLOWAY, S.S.HASNAIN, P.J.HART, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 56.8-2.0 Space group P1211 a (A) 51.488 b (A) 47.157 c (A) 56.356 alpha (°) 90.00 beta (°) 90.38 gamma (°) 90.00 Rfactor (%) 17.36 Rfree (%) 23.072 Copper Binding Sites: Copper binding site 1 out of 2 in 2wko Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2wko. 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: His48, A: His63, A: Val118, A: His120, A: Hoh2056, A: Hoh2120, A: Hoh2125, conact list: Atom Atom Distance (A) Cu O A:His46 4.93 Cu NE2 A:His46 4.25 Cu N A:His46 4.37 Cu CB A:His46 3.32 Cu ND1 A:His46 2.17 Cu CD2 A:His46 4.24 Cu C A:His46 4.90 Cu CE1 A:His46 3.17 Cu CG A:His46 3.09 Cu CA A:His46 4.35 Cu NE2 A:His48 2.07 Cu ND1 A:His48 4.12 Cu CD2 A:His48 3.14 Cu CE1 A:His48 2.97 Cu CG A:His48 4.23 Cu NE2 A:His63 3.58 Cu CD2 A:His63 3.97 Cu CE1 A:His63 4.43 Cu CG A:His63 4.99 Cu O A:Val118 4.65 Cu CB A:Val118 4.08 Cu CG2 A:Val118 4.80 Cu CG1 A:Val118 4.15 Cu NE2 A:His120 1.82 Cu ND1 A:His120 3.89 Cu CD2 A:His120 2.84 Cu CE1 A:His120 2.79 Cu CG A:His120 3.94 Cu O A:Hoh2056 4.09 Cu O A:Hoh2120 4.01 Cu O A:Hoh2125 4.50 interactive model: Copper binding site 2 out of 2 in 2wko Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2wko. 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: F: His46, F: His48, F: His63, F: Val118, F: His120, F: Hoh2146, conact list: Atom Atom Distance (A) Cu O F:His46 4.61 Cu NE2 F:His46 4.26 Cu N F:His46 4.20 Cu CB F:His46 3.34 Cu ND1 F:His46 2.16 Cu CD2 F:His46 4.26 Cu C F:His46 4.71 Cu CE1 F:His46 3.17 Cu CG F:His46 3.10 Cu CA F:His46 4.24 Cu NE2 F:His48 2.04 Cu ND1 F:His48 4.13 Cu CD2 F:His48 3.05 Cu CE1 F:His48 3.01 Cu CG F:His48 4.19 Cu NE2 F:His63 3.54 Cu CD2 F:His63 3.73 Cu CE1 F:His63 4.50 Cu CG F:His63 4.77 Cu O F:Val118 4.45 Cu CB F:Val118 3.98 Cu CG2 F:Val118 4.78 Cu C F:Val118 4.91 Cu CG1 F:Val118 4.16 Cu NE2 F:His120 2.10 Cu ND1 F:His120 4.22 Cu CD2 F:His120 2.93 Cu CE1 F:His120 3.19 Cu CG F:His120 4.14 Cu O F:Hoh2146 3.86 interactive model: