Copper in the structure of The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase: X-Ray Crystallographic Studies With Mutational Variants. (pdb 1dyu)

The binding sites of Copper atom in the structure of The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase: X-Ray Crystallographic Studies With Mutational Variants. (pdb code 1dyu). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1dyu structure was solved by J.M.MURRAY, C.M.WILMOT, C.G.SAYSELL, J.JAEGER, P.F.KNOWLES, S.E.V.PHILLIPS, M.J.MCPHERSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.0 Space group P212121 a (A) 135.050 b (A) 167.170 c (A) 79.920 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.5 Rfree (%) 23.7 Copper Binding Sites: Copper binding site 1 out of 2 in 1dyu Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1dyu. 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: His524, A: His526, A: His613, A: His689, A: Met699, A: Hoh2291, A: Hoh2515, A: Hoh2617, A: Hoh2618, A: Hoh2737, conact list: Atom Atom Distance (A) Cu NE2 A:His524 2.26 Cu ND1 A:His524 4.26 Cu CD2 A:His524 3.21 Cu CE1 A:His524 3.17 Cu CG A:His524 4.31 Cu NE2 A:His526 2.11 Cu ND1 A:His526 4.23 Cu CD2 A:His526 2.86 Cu CE1 A:His526 3.24 Cu CG A:His526 4.08 Cu CE1 A:His613 4.90 Cu NE2 A:His689 4.34 Cu CB A:His689 3.38 Cu ND1 A:His689 2.23 Cu CD2 A:His689 4.32 Cu CE1 A:His689 3.24 Cu CG A:His689 3.15 Cu CA A:His689 4.93 Cu CE A:Met699 4.77 Cu SD A:Met699 4.91 Cu O A:Hoh2291 4.73 Cu O A:Hoh2515 4.86 Cu O A:Hoh2617 4.75 Cu O A:Hoh2618 2.91 Cu O A:Hoh2737 4.07 interactive model: Copper binding site 2 out of 2 in 1dyu Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1dyu. 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: Tpq466, B: His524, B: His526, B: His613, B: His689, B: Met699, B: Hoh2226, B: Hoh2429, B: Hoh2521, B: Hoh2523, B: Hoh2712, conact list: Atom Atom Distance (A) Cu O2 B:Tpq466 4.94 Cu NE2 B:His524 2.44 Cu ND1 B:His524 4.47 Cu CD2 B:His524 3.20 Cu CE1 B:His524 3.48 Cu CG B:His524 4.37 Cu NE2 B:His526 2.10 Cu ND1 B:His526 4.22 Cu CD2 B:His526 2.91 Cu CE1 B:His526 3.21 Cu CG B:His526 4.10 Cu NE2 B:His613 4.95 Cu NE2 B:His689 4.25 Cu CB B:His689 3.36 Cu ND1 B:His689 2.15 Cu CD2 B:His689 4.25 Cu CE1 B:His689 3.15 Cu CG B:His689 3.10 Cu CA B:His689 4.92 Cu CE B:Met699 4.91 Cu SD B:Met699 4.75 Cu O B:Hoh2226 4.88 Cu O B:Hoh2429 4.98 Cu O B:Hoh2521 4.97 Cu O B:Hoh2523 2.91 Cu O B:Hoh2712 3.72 interactive model: