Copper in the structure of Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes) in the Native Cu(II)-Cu(II) State (pdb 1bt1)

The binding sites of Copper atom in the structure of Catechol Oxidase From Ipomoea Batatas (Sweet Potatoes) in the Native Cu(II)-Cu(II) State (pdb code 1bt1). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1bt1 structure was solved by T.KLABUNDE, C.EICKEN, J.C.SACCHETTINI, B.KREBS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-2.7 Space group P1211 a (A) 45.820 b (A) 164.750 c (A) 52.160 alpha (°) 90.00 beta (°) 97.50 gamma (°) 90.00 Rfactor (%) 16.8 Rfree (%) 25.6 Copper Binding Sites: Copper binding site 1 out of 4 in 1bt1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1bt1. 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: His88, A: Cys92, A: His109, A: Phe114, A: His118, A: His240, A: Phe261, A: Phe270, A: His274, A: C2o500, conact list: Atom Atom Distance (A) Cu NE2 A:His88 2.05 Cu ND1 A:His88 4.10 Cu CD2 A:His88 3.11 Cu CE1 A:His88 2.95 Cu CG A:His88 4.21 Cu SG A:Cys92 3.89 Cu NE2 A:His109 2.24 Cu ND1 A:His109 4.38 Cu CD2 A:His109 3.04 Cu CE1 A:His109 3.35 Cu CG A:His109 4.27 Cu CE1 A:Phe114 4.68 Cu NE2 A:His118 2.26 Cu ND1 A:His118 4.23 Cu CD2 A:His118 3.24 Cu CE1 A:His118 3.13 Cu CG A:His118 4.32 Cu NE2 A:His240 4.67 Cu CE1 A:His240 4.92 Cu CD1 A:Phe261 4.84 Cu CE1 A:Phe261 4.92 Cu CG A:Phe261 4.98 Cu CE2 A:Phe270 4.48 Cu CZ A:Phe270 4.45 Cu NE2 A:His274 4.30 Cu CE1 A:His274 4.32 Cu O1 A:C2o500 1.89 Cu CU3 A:C2o500 3.03 Cu CU2 A:C2o500 0.00 interactive model: Copper binding site 2 out of 4 in 1bt1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1bt1. 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: His88, A: His109, A: Phe114, A: His118, A: His240, A: His244, A: Phe261, A: Phe270, A: His274, A: C2o500, conact list: Atom Atom Distance (A) Cu NE2 A:His88 4.35 Cu CE1 A:His88 4.71 Cu NE2 A:His109 4.75 Cu CD2 A:His109 4.83 Cu CZ A:Phe114 4.76 Cu CE1 A:Phe114 4.51 Cu NE2 A:His118 4.30 Cu CD2 A:His118 4.62 Cu CE1 A:His118 4.97 Cu NE2 A:His240 2.08 Cu ND1 A:His240 4.05 Cu CD2 A:His240 3.20 Cu CE1 A:His240 2.87 Cu CG A:His240 4.24 Cu NE2 A:His244 2.29 Cu ND1 A:His244 4.13 Cu CD2 A:His244 3.33 Cu CE1 A:His244 3.01 Cu CG A:His244 4.32 Cu CE1 A:Phe261 4.59 Cu CE2 A:Phe270 4.32 Cu CZ A:Phe270 4.81 Cu NE2 A:His274 2.15 Cu ND1 A:His274 4.01 Cu CD2 A:His274 3.24 Cu CE1 A:His274 2.86 Cu CG A:His274 4.23 Cu O1 A:C2o500 1.94 Cu CU3 A:C2o500 0.00 Cu CU2 A:C2o500 3.03 interactive model: Copper binding site 3 out of 4 in 1bt1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 1bt1. 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: His88, B: Cys92, B: His109, B: Phe114, B: His118, B: His240, B: His244, B: Phe261, B: Phe270, B: His274, B: C2o500, conact list: Atom Atom Distance (A) Cu NE2 B:His88 1.96 Cu ND1 B:His88 4.01 Cu CD2 B:His88 3.02 Cu CE1 B:His88 2.86 Cu CG B:His88 4.11 Cu SG B:Cys92 3.90 Cu NE2 B:His109 2.24 Cu ND1 B:His109 4.35 Cu CD2 B:His109 3.02 Cu CE1 B:His109 3.34 Cu CG B:His109 4.24 Cu CE1 B:Phe114 4.76 Cu NE2 B:His118 2.30 Cu ND1 B:His118 4.32 Cu CD2 B:His118 3.26 Cu CE1 B:His118 3.22 Cu CG B:His118 4.37 Cu NE2 B:His240 4.71 Cu NE2 B:His244 4.99 Cu CD1 B:Phe261 4.65 Cu CE1 B:Phe261 4.70 Cu CG B:Phe261 4.94 Cu CE2 B:Phe270 4.47 Cu CZ B:Phe270 4.42 Cu NE2 B:His274 4.24 Cu CE1 B:His274 4.36 Cu O1 B:C2o500 1.89 Cu CU3 B:C2o500 3.01 Cu CU2 B:C2o500 0.00 interactive model: Copper binding site 4 out of 4 in 1bt1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 1bt1. 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: His88, B: His109, B: Phe114, B: His118, B: His240, B: His244, B: Phe261, B: Phe270, B: His274, B: C2o500, conact list: Atom Atom Distance (A) Cu NE2 B:His88 4.30 Cu CE1 B:His88 4.68 Cu NE2 B:His109 4.76 Cu CD2 B:His109 4.84 Cu CZ B:Phe114 4.78 Cu CE1 B:Phe114 4.47 Cu NE2 B:His118 4.25 Cu CD2 B:His118 4.57 Cu CE1 B:His118 4.99 Cu NE2 B:His240 2.07 Cu ND1 B:His240 4.10 Cu CD2 B:His240 3.16 Cu CE1 B:His240 2.93 Cu CG B:His240 4.24 Cu NE2 B:His244 2.31 Cu ND1 B:His244 4.19 Cu CD2 B:His244 3.37 Cu CE1 B:His244 3.05 Cu CG B:His244 4.37 Cu CD1 B:Phe261 4.91 Cu CZ B:Phe261 4.97 Cu CE1 B:Phe261 4.38 Cu CE2 B:Phe270 4.42 Cu CZ B:Phe270 4.87 Cu NE2 B:His274 2.14 Cu ND1 B:His274 4.03 Cu CD2 B:His274 3.22 Cu CE1 B:His274 2.88 Cu CG B:His274 4.23 Cu O1 B:C2o500 1.94 Cu CU3 B:C2o500 0.00 Cu CU2 B:C2o500 3.01 interactive model: