Copper in the structure of Crystal Structures of Holo And Cu-Deficient Cu/Znsod From The Silkworm Bombyx Mori and the Implications in Amyotrophic Lateral Sclerosis (pdb 3l9y)

The binding sites of Copper atom in the structure of Crystal Structures of Holo And Cu-Deficient Cu/Znsod From The Silkworm Bombyx Mori and the Implications in Amyotrophic Lateral Sclerosis (pdb code 3l9y). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 3l9y structure was solved by N.-N.ZHANG, Y.-X.HE, W.-F.LI, F.ZHAO, L.-F.YAN, G.-Z.ZHANG, Y.-B.TENG, J.YU, Y.CHEN, C.-Z.ZHOU, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-1.8 Space group P64 a (A) 111.493 b (A) 111.493 c (A) 39.886 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 22.3 Rfree (%) 25.8 Copper Binding Sites: Copper binding site 1 out of 2 in 3l9y Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 3l9y. 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: His45, A: His47, A: His62, A: Val118, A: His120, A: Hoh166, A: Hoh200, conact list: Atom Atom Distance (A) Cu O A:His45 4.62 Cu NE2 A:His45 4.21 Cu N A:His45 4.25 Cu CB A:His45 3.39 Cu ND1 A:His45 2.12 Cu CD2 A:His45 4.24 Cu C A:His45 4.74 Cu CE1 A:His45 3.09 Cu CG A:His45 3.10 Cu CA A:His45 4.31 Cu NE2 A:His47 1.98 Cu ND1 A:His47 4.03 Cu CD2 A:His47 3.05 Cu CE1 A:His47 2.89 Cu CG A:His47 4.14 Cu NE2 A:His62 3.38 Cu ND1 A:His62 4.88 Cu CD2 A:His62 3.74 Cu CE1 A:His62 4.19 Cu CG A:His62 4.69 Cu O A:Val118 4.52 Cu CB A:Val118 3.93 Cu CG2 A:Val118 4.64 Cu C A:Val118 4.94 Cu CG1 A:Val118 4.09 Cu NE2 A:His120 1.91 Cu ND1 A:His120 4.00 Cu CD2 A:His120 2.90 Cu CE1 A:His120 2.91 Cu CG A:His120 4.03 Cu O A:Hoh166 4.28 Cu O A:Hoh200 3.67 interactive model: Copper binding site 2 out of 2 in 3l9y Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 3l9y. 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: His45, B: His47, B: His62, B: Val118, B: His120, B: Hoh173, conact list: Atom Atom Distance (A) Cu O B:His45 4.47 Cu NE2 B:His45 4.15 Cu N B:His45 4.16 Cu CB B:His45 3.34 Cu ND1 B:His45 2.07 Cu CD2 B:His45 4.17 Cu C B:His45 4.65 Cu CE1 B:His45 3.05 Cu CG B:His45 3.04 Cu CA B:His45 4.25 Cu NE2 B:His47 2.08 Cu ND1 B:His47 4.15 Cu CD2 B:His47 3.06 Cu CE1 B:His47 3.04 Cu CG B:His47 4.19 Cu NE2 B:His62 3.25 Cu ND1 B:His62 4.97 Cu CD2 B:His62 3.57 Cu CE1 B:His62 4.24 Cu CG B:His62 4.67 Cu O B:Val118 4.40 Cu CB B:Val118 3.83 Cu CG2 B:Val118 4.58 Cu C B:Val118 4.83 Cu CG1 B:Val118 3.99 Cu CA B:Val118 4.92 Cu NE2 B:His120 1.99 Cu ND1 B:His120 4.11 Cu CD2 B:His120 2.92 Cu CE1 B:His120 3.04 Cu CG B:His120 4.09 Cu O B:Hoh173 3.99 interactive model: