Copper in the structure of Crystal Structure of Hansenula Polymorpha Amine Oxidase in Complex With Xe to 1.6 Angstroms (pdb 2oqe)

The binding sites of Copper atom in the structure of Crystal Structure of Hansenula Polymorpha Amine Oxidase in Complex With Xe to 1.6 Angstroms (pdb code 2oqe). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2oqe structure was solved by B.J.JOHNSON, C.M.WILMOT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 46.7-1.6 Space group P1211 a (A) 103.403 b (A) 222.751 c (A) 103.651 alpha (°) 90.00 beta (°) 95.85 gamma (°) 90.00 Rfactor (%) 16.2 Rfree (%) 18.8 Copper Binding Sites: Copper binding site 1 out of 6 in 2oqe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2oqe. 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: Tpq405, A: Leu425, A: His456, A: His458, A: Ile622, A: His624, A: Sme634, A: Hoh4057, A: Hoh4062, A: Hoh4160, conact list: Atom Atom Distance (A) Cu O2 A:Tpq405 4.83 Cu CD1 A:Leu425 4.85 Cu NE2 A:His456 2.08 Cu ND1 A:His456 4.16 Cu CD2 A:His456 2.94 Cu CE1 A:His456 3.13 Cu CG A:His456 4.10 Cu NE2 A:His458 2.02 Cu ND1 A:His458 4.13 Cu CD2 A:His458 2.96 Cu CE1 A:His458 3.04 Cu CG A:His458 4.12 Cu CD1 A:Ile622 4.73 Cu NE2 A:His624 4.16 Cu CB A:His624 3.27 Cu ND1 A:His624 2.06 Cu CD2 A:His624 4.16 Cu CE1 A:His624 3.08 Cu CG A:His624 3.00 Cu CA A:His624 4.80 Cu OE A:Sme634 4.83 Cu O A:Hoh4057 4.63 Cu O A:Hoh4062 2.85 Cu O A:Hoh4160 4.96 interactive model: Copper binding site 2 out of 6 in 2oqe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2oqe. 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: Tpq405, B: Leu425, B: His456, B: His458, B: Ile622, B: His624, B: Sme634, B: Hoh4114, B: Hoh4195, conact list: Atom Atom Distance (A) Cu O2 B:Tpq405 4.87 Cu CD1 B:Leu425 4.89 Cu NE2 B:His456 2.07 Cu ND1 B:His456 4.14 Cu CD2 B:His456 2.93 Cu CE1 B:His456 3.10 Cu CG B:His456 4.09 Cu NE2 B:His458 2.04 Cu ND1 B:His458 4.13 Cu CD2 B:His458 3.02 Cu CE1 B:His458 3.02 Cu CG B:His458 4.16 Cu CD1 B:Ile622 4.85 Cu NE2 B:His624 4.15 Cu CB B:His624 3.27 Cu ND1 B:His624 2.05 Cu CD2 B:His624 4.15 Cu CE1 B:His624 3.06 Cu CG B:His624 3.00 Cu CA B:His624 4.80 Cu OE B:Sme634 4.87 Cu O B:Hoh4114 4.59 Cu O B:Hoh4195 2.86 interactive model: Copper binding site 3 out of 6 in 2oqe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 2oqe. 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: Tpq405, C: Leu425, C: His456, C: His458, C: Ile622, C: His624, C: Met634, C: Hoh4113, conact list: Atom Atom Distance (A) Cu O5 C:Tpq405 4.79 Cu C5 C:Tpq405 4.50 Cu O2 C:Tpq405 4.96 Cu C4 C:Tpq405 3.55 Cu C3 C:Tpq405 3.94 Cu O4 C:Tpq405 2.87 Cu CD1 C:Leu425 4.73 Cu NE2 C:His456 2.13 Cu ND1 C:His456 4.17 Cu CD2 C:His456 3.00 Cu CE1 C:His456 3.12 Cu CG C:His456 4.14 Cu NE2 C:His458 2.00 Cu ND1 C:His458 4.12 Cu CD2 C:His458 2.91 Cu CE1 C:His458 3.05 Cu CG C:His458 4.09 Cu CD1 C:Ile622 4.85 Cu NE2 C:His624 4.10 Cu CB C:His624 3.18 Cu ND1 C:His624 1.99 Cu CD2 C:His624 4.07 Cu CE1 C:His624 3.03 Cu CG C:His624 2.92 Cu CA C:His624 4.72 Cu CE C:Met634 5.00 Cu O C:Hoh4113 4.60 interactive model: Copper binding site 4 out of 6 in 2oqe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 2oqe. 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: Tpq405, D: His456, D: His458, D: Ile622, D: His624, D: Hoh4058, conact list: Atom Atom Distance (A) Cu O5 D:Tpq405 4.65 Cu C5 D:Tpq405 4.42 Cu O2 D:Tpq405 4.60 Cu C4 D:Tpq405 3.53 Cu C3 D:Tpq405 3.99 Cu O4 D:Tpq405 2.87 Cu NE2 D:His456 2.13 Cu ND1 D:His456 4.19 Cu CD2 D:His456 2.99 Cu CE1 D:His456 3.15 Cu CG D:His456 4.15 Cu NE2 D:His458 2.00 Cu ND1 D:His458 4.10 Cu CD2 D:His458 2.96 Cu CE1 D:His458 3.01 Cu CG D:His458 4.11 Cu CD1 D:Ile622 4.79 Cu NE2 D:His624 4.14 Cu CB D:His624 3.22 Cu ND1 D:His624 2.03 Cu CD2 D:His624 4.11 Cu CE1 D:His624 3.06 Cu CG D:His624 2.96 Cu CA D:His624 4.75 Cu O D:Hoh4058 4.59 interactive model: Copper binding site 5 out of 6 in 2oqe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Copper in the PDB 2oqe. 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: E: Tpq405, E: Leu425, E: His456, E: His458, E: Ile622, E: His624, E: Hoh4054, conact list: Atom Atom Distance (A) Cu O5 E:Tpq405 4.69 Cu C5 E:Tpq405 4.41 Cu O2 E:Tpq405 4.67 Cu C4 E:Tpq405 3.50 Cu C3 E:Tpq405 3.92 Cu O4 E:Tpq405 2.86 Cu CD1 E:Leu425 4.80 Cu CD2 E:Leu425 3.60 Cu CG E:Leu425 4.97 Cu NE2 E:His456 2.08 Cu ND1 E:His456 4.14 Cu CD2 E:His456 2.98 Cu CE1 E:His456 3.08 Cu CG E:His456 4.12 Cu NE2 E:His458 2.01 Cu ND1 E:His458 4.12 Cu CD2 E:His458 2.94 Cu CE1 E:His458 3.03 Cu CG E:His458 4.11 Cu CD1 E:Ile622 4.78 Cu NE2 E:His624 4.10 Cu CB E:His624 3.24 Cu ND1 E:His624 2.00 Cu CD2 E:His624 4.10 Cu CE1 E:His624 3.01 Cu CG E:His624 2.95 Cu CA E:His624 4.78 Cu O E:Hoh4054 4.61 interactive model: Copper binding site 6 out of 6 in 2oqe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Copper in the PDB 2oqe. 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: Tpq405, F: Leu425, F: His456, F: His458, F: Ile622, F: His624, F: Met634, F: Hoh4149, conact list: Atom Atom Distance (A) Cu O5 F:Tpq405 4.71 Cu C5 F:Tpq405 4.46 Cu O2 F:Tpq405 4.67 Cu C4 F:Tpq405 3.57 Cu C3 F:Tpq405 4.02 Cu O4 F:Tpq405 2.92 Cu CD1 F:Leu425 4.75 Cu NE2 F:His456 2.14 Cu ND1 F:His456 4.19 Cu CD2 F:His456 3.00 Cu CE1 F:His456 3.15 Cu CG F:His456 4.15 Cu NE2 F:His458 2.02 Cu ND1 F:His458 4.13 Cu CD2 F:His458 2.94 Cu CE1 F:His458 3.05 Cu CG F:His458 4.11 Cu CD1 F:Ile622 4.91 Cu NE2 F:His624 4.12 Cu CB F:His624 3.21 Cu ND1 F:His624 2.01 Cu CD2 F:His624 4.10 Cu CE1 F:His624 3.04 Cu CG F:His624 2.94 Cu CA F:His624 4.75 Cu CE F:Met634 4.84 Cu O F:Hoh4149 4.64 interactive model: