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 80 Minutes (pdb 2zwf)

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 80 Minutes (pdb code 2zwf). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2zwf structure was solved by Y.MATOBA, M.SUGIYAMA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-1.4 Space group P21212 a (A) 65.160 b (A) 97.680 c (A) 54.990 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.3 Rfree (%) 21.2 Copper Binding Sites: Copper binding site 1 out of 6 in 2zwf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2zwf. 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: His194, A: Phe212, A: His216, B: Dah98, A: Cu501, A: Cu502, B: Hoh547, B: Hoh582, conact list: Atom Atom Distance (A) Cu NE2 A:His38 2.04 Cu NE2 A:His38 2.60 Cu ND1 A:His38 4.05 Cu ND1 A:His38 4.71 Cu CD2 A:His38 3.13 Cu CD2 A:His38 3.06 Cu CE1 A:His38 2.88 Cu CE1 A:His38 3.84 Cu CG A:His38 4.18 Cu CG A:His38 4.38 Cu CD1 A:Ile42 4.65 Cu NE2 A:His54 2.06 Cu ND1 A:His54 4.18 Cu CD2 A:His54 2.92 Cu CE1 A:His54 3.13 Cu CG A:His54 4.10 Cu CE1 A:Phe59 4.86 Cu NE2 A:His63 2.57 Cu ND1 A:His63 4.43 Cu CD2 A:His63 3.74 Cu CE1 A:His63 3.20 Cu CG A:His63 4.72 Cu NE2 A:His190 4.69 Cu NE2 A:His194 4.92 Cu CE2 A:Phe212 4.33 Cu CZ A:Phe212 4.36 Cu NE2 A:His216 4.12 Cu CE1 A:His216 4.42 Cu CE2 B:Dah98 4.40 Cu OE2 B:Dah98 3.16 Cu CZ B:Dah98 4.63 Cu OZ B:Dah98 3.73 Cu CU A:Cu501 0.00 Cu CU A:Cu501 1.78 Cu CU A:Cu502 3.49 Cu O B:Hoh547 1.96 Cu O B:Hoh582 1.99 interactive model: Copper binding site 2 out of 6 in 2zwf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2zwf. 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: His190, A: His194, A: Ser206, A: Phe212, B: Dah98, A: Cu501, A: Cu502, B: Hoh547, B: Hoh556, B: Hoh582, conact list: Atom Atom Distance (A) Cu NE2 A:His38 2.38 Cu NE2 A:His38 2.13 Cu ND1 A:His38 3.62 Cu ND1 A:His38 4.12 Cu CD2 A:His38 3.75 Cu CD2 A:His38 3.29 Cu CE1 A:His38 2.29 Cu CE1 A:His38 2.92 Cu CG A:His38 4.32 Cu CG A:His38 4.33 Cu CB A:Ile42 4.79 Cu CD1 A:Ile42 3.16 Cu CG1 A:Ile42 4.08 Cu NE2 A:His54 2.61 Cu ND1 A:His54 4.59 Cu CD2 A:His54 3.27 Cu CE1 A:His54 3.64 Cu CG A:His54 4.43 Cu NE2 A:His63 4.35 Cu CE1 A:His63 4.90 Cu NE2 A:His190 4.98 Cu NE2 A:His194 4.48 Cu CE1 A:His194 4.58 Cu OG A:Ser206 4.18 Cu CE2 A:Phe212 4.59 Cu CE2 B:Dah98 3.07 Cu CD2 B:Dah98 4.41 Cu OE2 B:Dah98 2.14 Cu CZ B:Dah98 3.05 Cu CE1 B:Dah98 4.35 Cu OZ B:Dah98 2.13 Cu CU A:Cu501 1.78 Cu CU A:Cu501 0.00 Cu CU A:Cu502 3.73 Cu O B:Hoh547 2.07 Cu O B:Hoh556 4.54 Cu O B:Hoh582 2.65 interactive model: Copper binding site 3 out of 6 in 2zwf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 2zwf. 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: Hoh547, B: Hoh582, conact list: Atom Atom Distance (A) Cu NE2 A:His38 4.88 Cu CE1 A:Phe59 4.80 Cu NE2 A:His63 4.54 Cu CD2 A:His63 4.96 Cu NE2 A:His190 1.98 Cu ND1 A:His190 4.08 Cu CD2 A:His190 3.01 Cu CE1 A:His190 2.95 Cu CG A:His190 4.12 Cu NE2 A:His194 1.98 Cu ND1 A:His194 4.09 Cu CD2 A:His194 3.03 Cu CE1 A:His194 2.95 Cu CG A:His194 4.14 Cu CE2 A:Phe212 4.21 Cu CD2 A:Phe212 4.88 Cu CZ A:Phe212 4.78 Cu NE2 A:His215 4.62 Cu CD2 A:His215 4.46 Cu NE2 A:His216 2.09 Cu ND1 A:His216 4.10 Cu CD2 A:His216 3.18 Cu CE1 A:His216 2.92 Cu CG A:His216 4.24 Cu CE2 B:Dah98 3.85 Cu CD2 B:Dah98 4.65 Cu OE2 B:Dah98 3.17 Cu CZ B:Dah98 4.28 Cu OZ B:Dah98 4.04 Cu CU A:Cu501 3.49 Cu CU A:Cu501 3.73 Cu O B:Hoh547 1.98 Cu O B:Hoh582 2.53 interactive model: Copper binding site 4 out of 6 in 2zwf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 2zwf. 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: Hoh733, A: Hoh888, A: Hoh926, conact list: Atom Atom Distance (A) Cu CG A:Pro231 4.59 Cu NE2 A:His277 2.01 Cu ND1 A:His277 3.98 Cu CD2 A:His277 3.08 Cu CE1 A:His277 2.84 Cu CG A:His277 4.14 Cu O A:Hoh733 4.77 Cu O A:Hoh888 2.90 Cu O A:Hoh926 2.41 interactive model: Copper binding site 5 out of 6 in 2zwf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Copper in the PDB 2zwf. 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: Met84, B: Ile92, B: His97, A: Hoh576, conact list: Atom Atom Distance (A) Cu O A:Ile42 3.20 Cu C A:Ile42 4.10 Cu O A:Met43 4.06 Cu N A:Met43 4.36 Cu CB A:Met43 4.65 Cu C A:Met43 4.18 Cu CG A:Met43 4.78 Cu CA A:Met43 3.70 Cu NE2 B:His82 1.98 Cu NE2 B:His82 3.99 Cu ND1 B:His82 4.01 Cu ND1 B:His82 3.19 Cu CD2 B:His82 3.07 Cu CD2 B:His82 4.92 Cu CE1 B:His82 2.87 Cu CE1 B:His82 2.75 Cu CG B:His82 4.16 Cu CG B:His82 4.54 Cu N B:Met84 4.88 Cu CB B:Met84 3.67 Cu CE B:Met84 3.54 Cu CG B:Met84 3.10 Cu SD B:Met84 2.30 Cu CA B:Met84 4.83 Cu CD1 B:Ile92 4.85 Cu CG1 B:Ile92 4.98 Cu NE2 B:His97 2.08 Cu ND1 B:His97 4.06 Cu CD2 B:His97 3.24 Cu CE1 B:His97 2.86 Cu CG B:His97 4.27 Cu O A:Hoh576 4.57 interactive model: Copper binding site 6 out of 6 in 2zwf Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Copper in the PDB 2zwf. 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: His82, B: Hoh586, conact list: Atom Atom Distance (A) Cu O A:Met43 3.95 Cu NE2 B:His82 2.58 Cu ND1 B:His82 3.65 Cu ND1 B:His82 4.69 Cu CD2 B:His82 3.06 Cu CE1 B:His82 3.72 Cu CE1 B:His82 3.80 Cu CG B:His82 4.98 Cu CG B:His82 4.37 Cu O B:Hoh586 4.66 interactive model: