Copper in the structure of Crystal Structure Of Tyrosinase From Bacillus Megaterium Crystallized in the Absence Of Zinc, Partial Occupancy of Cub (pdb 3ntm)

The binding sites of Copper atom in the structure of Crystal Structure Of Tyrosinase From Bacillus Megaterium Crystallized in the Absence Of Zinc, Partial Occupancy of Cub (pdb code 3ntm). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 3ntm 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) 39.1-2.3 Space group P1211 a (A) 46.010 b (A) 78.480 c (A) 74.550 alpha (°) 90.00 beta (°) 101.61 gamma (°) 90.00 Rfactor (%) 19.3 Rfree (%) 28.9 Copper Binding Sites: Copper binding site 1 out of 3 in 3ntm Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 3ntm. 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: Phe65, A: His69, A: His204, A: His208, A: Phe227, A: His231, A: Cu502, A: Hoh358, conact list: Atom Atom Distance (A) Cu NE2 A:His42 2.41 Cu ND1 A:His42 4.31 Cu CD2 A:His42 3.62 Cu CE1 A:His42 3.06 Cu CG A:His42 4.60 Cu NE2 A:His60 2.20 Cu ND1 A:His60 4.32 Cu CD2 A:His60 3.11 Cu CE1 A:His60 3.24 Cu CG A:His60 4.29 Cu CE1 A:Phe65 5.00 Cu NE2 A:His69 2.21 Cu ND1 A:His69 4.22 Cu CD2 A:His69 3.17 Cu CE1 A:His69 3.12 Cu CG A:His69 4.27 Cu NE2 A:His204 4.75 Cu CE1 A:His204 4.93 Cu NE2 A:His208 4.92 Cu CE2 A:Phe227 3.81 Cu CZ A:Phe227 3.71 Cu CE1 A:Phe227 4.98 Cu NE2 A:His231 3.61 Cu ND1 A:His231 4.89 Cu CD2 A:His231 4.60 Cu CE1 A:His231 3.87 Cu CU A:Cu502 3.23 Cu O A:Hoh358 2.27 interactive model: Copper binding site 2 out of 3 in 3ntm Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 3ntm. 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: His69, A: His204, A: His208, A: Ala221, A: Phe227, A: His230, A: His231, A: Cu501, A: Hoh358, conact list: Atom Atom Distance (A) Cu NE2 A:His60 4.88 Cu NE2 A:His69 4.56 Cu CD2 A:His69 4.83 Cu NE2 A:His204 2.60 Cu ND1 A:His204 4.62 Cu CD2 A:His204 3.66 Cu CE1 A:His204 3.43 Cu CG A:His204 4.76 Cu NE2 A:His208 2.00 Cu ND1 A:His208 4.06 Cu CD2 A:His208 2.96 Cu CE1 A:His208 2.96 Cu CG A:His208 4.07 Cu CB A:Ala221 4.98 Cu CE2 A:Phe227 3.56 Cu CD2 A:Phe227 4.20 Cu CZ A:Phe227 4.10 Cu ND1 A:His230 4.30 Cu CE1 A:His230 4.36 Cu NE2 A:His231 1.98 Cu ND1 A:His231 4.09 Cu CD2 A:His231 2.92 Cu CE1 A:His231 3.01 Cu CG A:His231 4.10 Cu CU A:Cu501 3.23 Cu O A:Hoh358 1.76 interactive model: Copper binding site 3 out of 3 in 3ntm Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 3ntm. 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: Phe65, B: His69, B: His204, B: Val218, B: Phe227, B: His231, B: Hoh352, B: Hoh360, conact list: Atom Atom Distance (A) Cu NE2 B:His42 2.26 Cu ND1 B:His42 4.15 Cu CD2 B:His42 3.48 Cu CE1 B:His42 2.90 Cu CG B:His42 4.45 Cu NE2 B:His60 2.26 Cu ND1 B:His60 4.35 Cu CD2 B:His60 3.23 Cu CE1 B:His60 3.22 Cu CG B:His60 4.39 Cu CE1 B:Phe65 4.57 Cu NE2 B:His69 2.41 Cu ND1 B:His69 4.29 Cu CD2 B:His69 3.60 Cu CE1 B:His69 3.06 Cu CG B:His69 4.57 Cu NE2 B:His204 4.72 Cu CE1 B:His204 4.86 Cu CG1 B:Val218 4.36 Cu CE2 B:Phe227 4.00 Cu CZ B:Phe227 3.75 Cu CE1 B:Phe227 4.98 Cu NE2 B:His231 3.98 Cu CD2 B:His231 4.99 Cu CE1 B:His231 4.18 Cu O B:Hoh352 2.27 Cu O B:Hoh360 3.93 interactive model: