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 12 Hours (pdb 2zwg)

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 12 Hours (pdb code 2zwg). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2zwg 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) 97.760 c (A) 55.070 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.9 Rfree (%) 22.5 Copper Binding Sites: Copper binding site 1 out of 6 in 2zwg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2zwg. 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, A: Hoh530, B: Hoh546, conact list: Atom Atom Distance (A) Cu NE2 A:His38 2.02 Cu NE2 A:His38 2.57 Cu ND1 A:His38 4.10 Cu ND1 A:His38 4.68 Cu CD2 A:His38 3.05 Cu CD2 A:His38 3.04 Cu CE1 A:His38 2.96 Cu CE1 A:His38 3.82 Cu CG A:His38 4.17 Cu CG A:His38 4.36 Cu CD1 A:Ile42 4.73 Cu NE2 A:His54 2.05 Cu ND1 A:His54 4.19 Cu CD2 A:His54 3.00 Cu CE1 A:His54 3.08 Cu CG A:His54 4.14 Cu CE1 A:Phe59 4.81 Cu NE2 A:His63 2.52 Cu ND1 A:His63 4.36 Cu CD2 A:His63 3.70 Cu CE1 A:His63 3.14 Cu CG A:His63 4.68 Cu NE2 A:His190 4.59 Cu CE1 A:His190 4.94 Cu NE2 A:His194 4.79 Cu CE2 A:Phe212 4.37 Cu CZ A:Phe212 4.40 Cu NE2 A:His216 4.02 Cu CD2 A:His216 4.99 Cu CE1 A:His216 4.41 Cu CE2 B:Dah98 4.37 Cu OE2 B:Dah98 3.20 Cu CZ B:Dah98 4.58 Cu OZ B:Dah98 3.72 Cu CU A:Cu501 0.00 Cu CU A:Cu501 1.78 Cu CU A:Cu502 3.24 Cu O A:Hoh530 1.93 Cu O B:Hoh546 1.93 interactive model: Copper binding site 2 out of 6 in 2zwg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2zwg. 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, A: His216, B: Dah98, A: Cu501, A: Cu502, A: Hoh530, B: Hoh546, B: Hoh558, conact list: Atom Atom Distance (A) Cu NE2 A:His38 2.24 Cu NE2 A:His38 2.09 Cu ND1 A:His38 3.62 Cu ND1 A:His38 4.06 Cu CD2 A:His38 3.61 Cu CD2 A:His38 3.25 Cu CE1 A:His38 2.29 Cu CE1 A:His38 2.86 Cu CG A:His38 4.27 Cu CG A:His38 4.29 Cu CB A:Ile42 4.64 Cu CD1 A:Ile42 3.26 Cu CG1 A:Ile42 4.13 Cu NE2 A:His54 2.60 Cu ND1 A:His54 4.58 Cu CD2 A:His54 3.32 Cu CE1 A:His54 3.59 Cu CG A:His54 4.44 Cu NE2 A:His63 4.30 Cu CE1 A:His63 4.84 Cu NE2 A:His190 4.91 Cu NE2 A:His194 4.39 Cu CE1 A:His194 4.51 Cu OG A:Ser206 4.16 Cu CE2 A:Phe212 4.66 Cu NE2 A:His216 4.99 Cu CE2 B:Dah98 3.05 Cu CD2 B:Dah98 4.39 Cu OE2 B:Dah98 2.18 Cu CZ B:Dah98 3.00 Cu CE1 B:Dah98 4.32 Cu OZ B:Dah98 2.12 Cu CU A:Cu501 1.78 Cu CU A:Cu501 0.00 Cu CU A:Cu502 3.52 Cu O A:Hoh530 2.08 Cu O B:Hoh546 2.73 Cu O B:Hoh558 4.60 interactive model: Copper binding site 3 out of 6 in 2zwg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 2zwg. 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: His54, A: Phe59, A: His63, A: His190, A: His194, A: Phe212, A: His215, A: His216, B: Dah98, A: Cu501, A: Hoh530, B: Hoh546, conact list: Atom Atom Distance (A) Cu NE2 A:His38 4.71 Cu NE2 A:His54 4.87 Cu CZ A:Phe59 4.98 Cu CE1 A:Phe59 4.64 Cu NE2 A:His63 4.35 Cu CD2 A:His63 4.83 Cu NE2 A:His190 1.93 Cu ND1 A:His190 4.04 Cu CD2 A:His190 3.02 Cu CE1 A:His190 2.86 Cu CG A:His190 4.13 Cu NE2 A:His194 2.07 Cu ND1 A:His194 4.16 Cu CD2 A:His194 3.10 Cu CE1 A:His194 3.03 Cu CG A:His194 4.21 Cu CE2 A:Phe212 4.32 Cu CZ A:Phe212 4.86 Cu NE2 A:His215 4.80 Cu CD2 A:His215 4.64 Cu NE2 A:His216 2.15 Cu ND1 A:His216 4.18 Cu CD2 A:His216 3.29 Cu CE1 A:His216 2.97 Cu CG A:His216 4.34 Cu CE2 B:Dah98 3.74 Cu CD2 B:Dah98 4.57 Cu OE2 B:Dah98 3.05 Cu CZ B:Dah98 4.17 Cu OZ B:Dah98 3.96 Cu CU A:Cu501 3.24 Cu CU A:Cu501 3.52 Cu O A:Hoh530 1.97 Cu O B:Hoh546 2.28 interactive model: Copper binding site 4 out of 6 in 2zwg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 2zwg. 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: Hoh829, A: Hoh839, A: Hoh924, conact list: Atom Atom Distance (A) Cu CG A:Pro231 4.68 Cu NE2 A:His277 2.01 Cu ND1 A:His277 3.99 Cu CD2 A:His277 3.18 Cu CE1 A:His277 2.78 Cu CG A:His277 4.21 Cu O A:Hoh829 2.53 Cu O A:Hoh839 4.72 Cu O A:Hoh924 2.63 interactive model: Copper binding site 5 out of 6 in 2zwg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Copper in the PDB 2zwg. 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: Ile92, B: His97, A: Hoh540, conact list: Atom Atom Distance (A) Cu O A:Ile42 3.24 Cu C A:Ile42 4.18 Cu O A:Met43 4.02 Cu N A:Met43 4.41 Cu CB A:Met43 4.64 Cu C A:Met43 4.18 Cu CG A:Met43 4.76 Cu CA A:Met43 3.72 Cu NE2 B:His82 2.00 Cu NE2 B:His82 3.33 Cu ND1 B:His82 4.01 Cu ND1 B:His82 3.11 Cu CD2 B:His82 3.11 Cu CD2 B:His82 4.44 Cu CE1 B:His82 2.86 Cu CE1 B:His82 2.27 Cu CG B:His82 4.17 Cu CG B:His82 4.35 Cu C B:Val83 4.98 Cu N B:Met84 4.80 Cu CB B:Met84 3.60 Cu CE B:Met84 3.39 Cu CG B:Met84 2.91 Cu SD B:Met84 2.20 Cu CA B:Met84 4.76 Cu CG1 B:Ile92 4.86 Cu NE2 B:His97 2.15 Cu ND1 B:His97 4.09 Cu CD2 B:His97 3.30 Cu CE1 B:His97 2.89 Cu CG B:His97 4.31 Cu O A:Hoh540 4.62 interactive model: Copper binding site 6 out of 6 in 2zwg Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Copper in the PDB 2zwg. 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: Hoh598, conact list: Atom Atom Distance (A) Cu O A:Met43 4.02 Cu NE2 B:His82 3.17 Cu ND1 B:His82 3.72 Cu CD2 B:His82 3.22 Cu CE1 B:His82 3.78 Cu CE1 B:His82 4.48 Cu CG B:His82 4.56 Cu O B:Hoh598 4.76 interactive model: