Copper in the structure of Crystal Structure of Tyrosinase From Bacillus Megaterium R209H Mutant (pdb 3nq5)

The binding sites of Copper atom in the structure of Crystal Structure of Tyrosinase From Bacillus Megaterium R209H Mutant (pdb code 3nq5). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 3nq5 structure was solved by M.SENDOVSKI, M.KANTEEV, N.ADIR, A.FISHMAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 41.9-2.3 Space group P212121 a (A) 49.130 b (A) 80.850 c (A) 147.110 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.7 Rfree (%) 30.4 Copper Binding Sites: Copper binding site 1 out of 4 in 3nq5 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 3nq5. 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: His42, A: His60, A: His69, A: His204, A: His208, A: Val218, A: Ala221, A: Phe227, A: His231, A: Cu502, A: Hoh380, conact list: Atom Atom Distance (A) Cu NE2 A:His42 2.13 Cu ND1 A:His42 3.99 Cu CD2 A:His42 3.38 Cu CE1 A:His42 2.73 Cu CG A:His42 4.32 Cu NE2 A:His60 1.95 Cu ND1 A:His60 4.00 Cu CD2 A:His60 3.04 Cu CE1 A:His60 2.84 Cu CG A:His60 4.12 Cu NE2 A:His69 3.83 Cu CE1 A:His69 4.37 Cu NE2 A:His204 4.95 Cu NE2 A:His208 4.48 Cu CE1 A:His208 4.75 Cu O A:Val218 4.58 Cu CB A:Val218 4.79 Cu CG2 A:Val218 4.69 Cu CG1 A:Val218 4.25 Cu CA A:Val218 4.67 Cu CB A:Ala221 4.94 Cu CE2 A:Phe227 3.85 Cu CZ A:Phe227 3.92 Cu NE2 A:His231 4.79 Cu CU A:Cu502 3.60 Cu O A:Hoh380 3.05 interactive model: Copper binding site 2 out of 4 in 3nq5 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 3nq5. 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: His60, A: Phe65, A: His69, A: His204, A: His208, A: Phe227, A: His230, A: His231, A: Cu501, A: Hoh380, conact list: Atom Atom Distance (A) Cu NE2 A:His60 4.74 Cu CE1 A:Phe65 4.55 Cu NE2 A:His69 4.24 Cu CD2 A:His69 4.84 Cu CE1 A:His69 4.78 Cu NE2 A:His204 2.06 Cu ND1 A:His204 4.15 Cu CD2 A:His204 3.05 Cu CE1 A:His204 3.03 Cu CG A:His204 4.19 Cu NE2 A:His208 1.95 Cu ND1 A:His208 4.04 Cu CD2 A:His208 2.83 Cu CE1 A:His208 3.00 Cu CG A:His208 4.00 Cu CE2 A:Phe227 3.53 Cu CD2 A:Phe227 4.44 Cu CZ A:Phe227 3.90 Cu ND1 A:His230 4.58 Cu CE1 A:His230 4.49 Cu NE2 A:His231 1.95 Cu ND1 A:His231 3.89 Cu CD2 A:His231 3.15 Cu CE1 A:His231 2.67 Cu CG A:His231 4.14 Cu CU A:Cu501 3.60 Cu O A:Hoh380 3.73 interactive model: Copper binding site 3 out of 4 in 3nq5 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 3nq5. 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: His42, B: His60, B: His69, B: His208, B: Val218, B: Ala221, B: Phe227, B: His231, B: Cu502, B: Hoh393, conact list: Atom Atom Distance (A) Cu NE2 B:His42 2.12 Cu ND1 B:His42 4.07 Cu CD2 B:His42 3.30 Cu CE1 B:His42 2.85 Cu CG B:His42 4.31 Cu NE2 B:His60 2.25 Cu ND1 B:His60 4.30 Cu CD2 B:His60 3.32 Cu CE1 B:His60 3.14 Cu CG B:His60 4.42 Cu NE2 B:His69 3.59 Cu CD2 B:His69 4.65 Cu CE1 B:His69 4.34 Cu NE2 B:His208 4.67 Cu CE1 B:His208 4.91 Cu O B:Val218 4.72 Cu CB B:Val218 4.32 Cu CG2 B:Val218 3.83 Cu CG1 B:Val218 3.94 Cu CA B:Val218 4.58 Cu CB B:Ala221 5.00 Cu CE2 B:Phe227 4.06 Cu CZ B:Phe227 3.99 Cu NE2 B:His231 4.88 Cu CU B:Cu502 3.61 Cu O B:Hoh393 3.04 interactive model: Copper binding site 4 out of 4 in 3nq5 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 3nq5. 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: His60, B: Phe65, B: His69, B: His204, B: His208, B: Phe227, B: His230, B: His231, B: Cu501, B: Hoh393, B: Hoh407, conact list: Atom Atom Distance (A) Cu NE2 B:His60 4.97 Cu CE1 B:Phe65 4.68 Cu NE2 B:His69 4.28 Cu CD2 B:His69 4.59 Cu NE2 B:His204 2.11 Cu ND1 B:His204 4.16 Cu CD2 B:His204 3.17 Cu CE1 B:His204 3.01 Cu CG B:His204 4.26 Cu NE2 B:His208 2.00 Cu ND1 B:His208 4.06 Cu CD2 B:His208 3.04 Cu CE1 B:His208 2.94 Cu CG B:His208 4.15 Cu CE2 B:Phe227 3.94 Cu CD2 B:Phe227 4.81 Cu CZ B:Phe227 4.02 Cu CE1 B:Phe227 4.94 Cu ND1 B:His230 4.50 Cu CE1 B:His230 4.31 Cu NE2 B:His231 2.07 Cu ND1 B:His231 4.02 Cu CD2 B:His231 3.27 Cu CE1 B:His231 2.80 Cu CG B:His231 4.27 Cu CU B:Cu501 3.61 Cu O B:Hoh393 3.93 Cu O B:Hoh407 4.91 interactive model: