Copper in the structure of Human SOD1 G85R Variant, Structure I (pdb 3cqp)

The binding sites of Copper atom in the structure of Human SOD1 G85R Variant, Structure I (pdb code 3cqp). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 3cqp structure was solved by X.CAO, S.ANTONYUK, S.V.SEETHARAMAN, L.J.WHITSON, A.B.TAYLOR, S.P.HOLLOWAY, R.W.STRANGE, P.A.DOUCETTE, J.S.VALENTINE, A.TIWARI, L.J.HAYWARD, S.PADUA, J.A.COHLBERG, S.S.HASNAIN, P.J.HART, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-1.9 Space group I212121 a (A) 73.472 b (A) 116.808 c (A) 147.764 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.3 Rfree (%) 22.3 Copper Binding Sites: Copper binding site 1 out of 4 in 3cqp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 3cqp. 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: Mli157, conact list: Atom Atom Distance (A) Cu O A:His46 4.88 Cu NE2 A:His46 4.44 Cu N A:His46 4.59 Cu CB A:His46 3.41 Cu ND1 A:His46 2.36 Cu CD2 A:His46 4.40 Cu C A:His46 4.96 Cu CE1 A:His46 3.36 Cu CG A:His46 3.24 Cu CA A:His46 4.51 Cu NE2 A:His48 2.04 Cu ND1 A:His48 4.07 Cu CD2 A:His48 3.09 Cu CE1 A:His48 2.94 Cu CG A:His48 4.18 Cu NE2 A:His63 3.31 Cu CD2 A:His63 3.53 Cu CE1 A:His63 4.42 Cu CG A:His63 4.72 Cu O A:Val118 4.79 Cu CB A:Val118 4.14 Cu CG2 A:Val118 4.79 Cu CG1 A:Val118 4.31 Cu NE2 A:His120 1.94 Cu ND1 A:His120 4.02 Cu CD2 A:His120 2.80 Cu CE1 A:His120 3.00 Cu CG A:His120 3.96 Cu C1 A:Mli157 3.84 Cu C3 A:Mli157 4.85 Cu O7 A:Mli157 3.73 Cu C2 A:Mli157 2.94 Cu O6 A:Mli157 1.76 interactive model: Copper binding site 2 out of 4 in 3cqp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 3cqp. 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: Hoh177, B: Hoh232, conact list: Atom Atom Distance (A) Cu O B:His46 4.75 Cu NE2 B:His46 4.34 Cu N B:His46 4.42 Cu CB B:His46 3.22 Cu ND1 B:His46 2.26 Cu CD2 B:His46 4.26 Cu C B:His46 4.82 Cu CE1 B:His46 3.31 Cu CG B:His46 3.08 Cu CA B:His46 4.33 Cu NE2 B:His48 2.02 Cu ND1 B:His48 4.04 Cu CD2 B:His48 3.09 Cu CE1 B:His48 2.90 Cu CG B:His48 4.16 Cu NE2 B:His63 3.07 Cu ND1 B:His63 4.87 Cu CD2 B:His63 3.42 Cu CE1 B:His63 4.10 Cu CG B:His63 4.56 Cu O B:Val118 4.78 Cu CB B:Val118 4.23 Cu CG2 B:Val118 4.87 Cu CG1 B:Val118 4.50 Cu NE2 B:His120 1.90 Cu ND1 B:His120 3.95 Cu CD2 B:His120 2.77 Cu CE1 B:His120 2.94 Cu CG B:His120 3.91 Cu O B:Hoh177 3.16 Cu O B:Hoh232 3.90 interactive model: Copper binding site 3 out of 4 in 3cqp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 3cqp. 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: C: His46, C: His48, C: His63, C: Val118, C: His120, C: Hoh177, C: Hoh204, conact list: Atom Atom Distance (A) Cu NE2 C:His46 4.38 Cu CB C:His46 3.49 Cu ND1 C:His46 2.31 Cu CD2 C:His46 4.40 Cu CE1 C:His46 3.28 Cu CG C:His46 3.25 Cu CA C:His46 4.86 Cu NE2 C:His48 2.13 Cu ND1 C:His48 4.05 Cu CD2 C:His48 3.29 Cu CE1 C:His48 2.86 Cu CG C:His48 4.29 Cu CD2 C:His63 4.83 Cu CB C:Val118 4.84 Cu CG1 C:Val118 4.73 Cu NE2 C:His120 2.10 Cu ND1 C:His120 4.06 Cu CD2 C:His120 3.09 Cu CE1 C:His120 2.96 Cu CG C:His120 4.15 Cu O C:Hoh177 4.37 Cu O C:Hoh204 2.40 interactive model: Copper binding site 4 out of 4 in 3cqp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 3cqp. 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: D: His46, D: His48, D: His63, D: Val118, D: His120, D: Hoh179, D: Hoh186, conact list: Atom Atom Distance (A) Cu NE2 D:His46 4.29 Cu N D:His46 4.83 Cu CB D:His46 3.55 Cu ND1 D:His46 2.28 Cu CD2 D:His46 4.35 Cu CE1 D:His46 3.19 Cu CG D:His46 3.25 Cu CA D:His46 4.72 Cu NE2 D:His48 2.00 Cu ND1 D:His48 3.92 Cu CD2 D:His48 3.18 Cu CE1 D:His48 2.72 Cu CG D:His48 4.17 Cu NE2 D:His63 2.91 Cu ND1 D:His63 4.83 Cu CD2 D:His63 3.19 Cu CE1 D:His63 4.08 Cu CG D:His63 4.44 Cu CB D:Val118 4.44 Cu CG1 D:Val118 4.45 Cu NE2 D:His120 2.03 Cu ND1 D:His120 4.00 Cu CD2 D:His120 2.99 Cu CE1 D:His120 2.93 Cu CG D:His120 4.06 Cu O D:Hoh179 3.30 Cu O D:Hoh186 3.46 interactive model: