Copper in the structure of Crystal Structure of The Copper-Bound Tyrosinase In Complex With A Caddie Protein From Streptomyces Castaneoglobisporus Obtained By Soaking the Deoxy-Form Crystal in Dioxygen-Saturated Solution For 40 Minutes (pdb 2zwe)

The binding sites of Copper atom in the structure of Crystal Structure of The Copper-Bound Tyrosinase In Complex With A Caddie Protein From Streptomyces Castaneoglobisporus Obtained By Soaking the Deoxy-Form Crystal in Dioxygen-Saturated Solution For 40 Minutes (pdb code 2zwe). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2zwe structure was solved by Y.MATOBA, M.SUGIYAMA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-1.3 Space group P21212 a (A) 65.240 b (A) 97.880 c (A) 55.090 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.4 Rfree (%) 20.8 Copper Binding Sites: Copper binding site 1 out of 6 in 2zwe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2zwe. 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: His38, A: Ile42, A: His54, A: Phe59, A: His63, A: His190, A: Phe212, A: His216, B: Dah98, A: Cu501, A: Cu502, B: Hoh555, B: Hoh784, conact list: Atom Atom Distance (A) Cu NE2 A:His38 1.90 Cu NE2 A:His38 2.47 Cu ND1 A:His38 3.78 Cu ND1 A:His38 4.57 Cu CD2 A:His38 3.11 Cu CD2 A:His38 2.92 Cu CE1 A:His38 2.57 Cu CE1 A:His38 3.73 Cu CG A:His38 4.04 Cu CG A:His38 4.25 Cu CG1 A:Ile42 4.49 Cu NE2 A:His54 2.06 Cu ND1 A:His54 4.10 Cu CD2 A:His54 2.98 Cu CE1 A:His54 3.02 Cu CG A:His54 4.09 Cu CE1 A:Phe59 4.96 Cu NE2 A:His63 2.51 Cu ND1 A:His63 4.33 Cu CD2 A:His63 3.72 Cu CE1 A:His63 3.07 Cu CG A:His63 4.68 Cu NE2 A:His190 4.88 Cu CE2 A:Phe212 4.25 Cu CZ A:Phe212 4.28 Cu NE2 A:His216 4.16 Cu CE1 A:His216 4.47 Cu CE2 B:Dah98 4.69 Cu OE2 B:Dah98 3.46 Cu CZ B:Dah98 4.84 Cu OZ B:Dah98 3.83 Cu CU A:Cu501 0.00 Cu CU A:Cu501 1.98 Cu CU A:Cu502 3.75 Cu O B:Hoh555 2.12 Cu O B:Hoh784 2.03 interactive model: Copper binding site 2 out of 6 in 2zwe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2zwe. 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: His38, A: Ile42, A: His54, A: His63, A: His194, A: Ser206, A: Phe212, B: Dah98, A: Cu501, A: Cu502, B: Hoh555, B: Hoh627, B: Hoh784, conact list: Atom Atom Distance (A) Cu NE2 A:His38 2.72 Cu NE2 A:His38 2.15 Cu ND1 A:His38 3.58 Cu ND1 A:His38 4.08 Cu CD2 A:His38 4.07 Cu CD2 A:His38 3.37 Cu CE1 A:His38 2.31 Cu CE1 A:His38 2.85 Cu CG A:His38 4.46 Cu CG A:His38 4.38 Cu CB A:Ile42 4.80 Cu CD1 A:Ile42 3.43 Cu CG1 A:Ile42 3.37 Cu NE2 A:His54 2.52 Cu ND1 A:His54 4.55 Cu CD2 A:His54 3.17 Cu CE1 A:His54 3.60 Cu CG A:His54 4.37 Cu NE2 A:His63 4.47 Cu CE1 A:His63 4.92 Cu NE2 A:His194 4.51 Cu CE1 A:His194 4.56 Cu OG A:Ser206 4.16 Cu CE2 A:Phe212 4.62 Cu CE2 B:Dah98 3.08 Cu CD2 B:Dah98 4.43 Cu OE2 B:Dah98 2.14 Cu CZ B:Dah98 3.02 Cu CE1 B:Dah98 4.32 Cu OZ B:Dah98 2.02 Cu CU A:Cu501 1.98 Cu CU A:Cu501 0.00 Cu CU A:Cu502 3.85 Cu O B:Hoh555 2.19 Cu O B:Hoh627 4.58 Cu O B:Hoh784 2.57 interactive model: Copper binding site 3 out of 6 in 2zwe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 2zwe. 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: His38, A: Phe59, A: His63, A: His190, A: His194, A: Phe212, A: His215, A: His216, B: Dah98, A: Cu501, B: Hoh555, B: Hoh784, conact list: Atom Atom Distance (A) Cu NE2 A:His38 4.97 Cu CE1 A:Phe59 4.93 Cu NE2 A:His63 4.65 Cu NE2 A:His190 2.03 Cu ND1 A:His190 4.11 Cu CD2 A:His190 3.02 Cu CE1 A:His190 3.01 Cu CG A:His190 4.15 Cu NE2 A:His194 1.95 Cu ND1 A:His194 4.08 Cu CD2 A:His194 3.02 Cu CE1 A:His194 2.94 Cu CG A:His194 4.14 Cu CE2 A:Phe212 4.12 Cu CD2 A:Phe212 4.74 Cu CZ A:Phe212 4.77 Cu NE2 A:His215 4.51 Cu CD2 A:His215 4.27 Cu NE2 A:His216 2.03 Cu ND1 A:His216 4.09 Cu CD2 A:His216 3.12 Cu CE1 A:His216 2.92 Cu CG A:His216 4.19 Cu CE2 B:Dah98 4.04 Cu CD2 B:Dah98 4.83 Cu OE2 B:Dah98 3.45 Cu CZ B:Dah98 4.37 Cu OZ B:Dah98 4.09 Cu CU A:Cu501 3.75 Cu CU A:Cu501 3.85 Cu O B:Hoh555 1.89 Cu O B:Hoh784 2.69 interactive model: Copper binding site 4 out of 6 in 2zwe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 2zwe. 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: Pro231, A: His277, A: Hoh814, A: Hoh934, A: Hoh939, conact list: Atom Atom Distance (A) Cu CG A:Pro231 4.58 Cu NE2 A:His277 1.98 Cu ND1 A:His277 3.99 Cu CD2 A:His277 3.11 Cu CE1 A:His277 2.81 Cu CG A:His277 4.17 Cu O A:Hoh814 4.72 Cu O A:Hoh934 4.36 Cu O A:Hoh939 2.35 interactive model: Copper binding site 5 out of 6 in 2zwe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Copper in the PDB 2zwe. 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: Ile42, A: Met43, B: His82, B: Val83, B: Met84, B: His97, A: Hoh634, conact list: Atom Atom Distance (A) Cu O A:Ile42 3.31 Cu C A:Ile42 4.19 Cu O A:Met43 3.98 Cu N A:Met43 4.38 Cu CB A:Met43 4.63 Cu C A:Met43 4.14 Cu CG A:Met43 4.78 Cu CA A:Met43 3.68 Cu NE2 B:His82 2.01 Cu NE2 B:His82 4.73 Cu ND1 B:His82 4.09 Cu ND1 B:His82 3.48 Cu CD2 B:His82 3.07 Cu CE1 B:His82 2.96 Cu CE1 B:His82 3.43 Cu CG B:His82 4.20 Cu CG B:His82 4.83 Cu C B:Val83 4.99 Cu N B:Met84 4.82 Cu CB B:Met84 3.57 Cu CE B:Met84 3.31 Cu CG B:Met84 2.86 Cu SD B:Met84 2.16 Cu CA B:Met84 4.76 Cu NE2 B:His97 2.14 Cu ND1 B:His97 4.17 Cu CD2 B:His97 3.25 Cu CE1 B:His97 3.02 Cu CG B:His97 4.34 Cu O A:Hoh634 4.56 interactive model: Copper binding site 6 out of 6 in 2zwe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Copper in the PDB 2zwe. 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: Met43, B: Glu67, B: His68, B: Gly69, B: Gly70, B: His82, B: Hoh562, conact list: Atom Atom Distance (A) Cu O A:Met43 4.09 Cu O B:Glu67 4.00 Cu OE1 B:Glu67 1.44 Cu CB B:Glu67 3.53 Cu OE2 B:Glu67 3.44 Cu CD B:Glu67 2.66 Cu C B:Glu67 3.33 Cu CG B:Glu67 3.69 Cu CA B:Glu67 3.98 Cu O B:His68 2.18 Cu NE2 B:His68 3.86 Cu N B:His68 2.65 Cu CB B:His68 3.40 Cu ND1 B:His68 1.83 Cu CD2 B:His68 3.96 Cu C B:His68 2.77 Cu CE1 B:His68 2.72 Cu CG B:His68 2.91 Cu CA B:His68 3.01 Cu O B:Gly69 3.83 Cu N B:Gly69 3.90 Cu C B:Gly69 4.22 Cu CA B:Gly69 4.59 Cu N B:Gly70 4.90 Cu NE2 B:His82 4.85 Cu NE2 B:His82 2.01 Cu ND1 B:His82 3.50 Cu ND1 B:His82 4.12 Cu CD2 B:His82 2.96 Cu CE1 B:His82 3.56 Cu CE1 B:His82 3.04 Cu CG B:His82 4.83 Cu CG B:His82 4.12 Cu O B:Hoh562 4.70 interactive model: