Copper in the structure of Structure of Thermus Thermophilus Cytochrome BA3 Oxidase 120S After Xe Depressurization (pdb 3s3a)

The binding sites of Copper atom in the structure of Structure of Thermus Thermophilus Cytochrome BA3 Oxidase 120S After Xe Depressurization (pdb code 3s3a). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 3s3a structure was solved by V.M.LUNA, J.A.FEE, A.A.DENIZ, C.D.STOUT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 92.6-4.2 Space group P43212 a (A) 110.290 b (A) 110.290 c (A) 170.270 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 27.9 Rfree (%) 33 Copper Binding Sites: Copper binding site 1 out of 3 in 3s3a Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 3s3a. 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: His233, A: Val236, A: His282, A: His283, A: Has801, conact list: Atom Atom Distance (A) Cu O A:His233 4.80 Cu NE2 A:His233 3.67 Cu CB A:His233 3.43 Cu ND1 A:His233 1.77 Cu CD2 A:His233 3.83 Cu C A:His233 4.92 Cu CE1 A:His233 2.56 Cu CG A:His233 2.85 Cu CA A:His233 4.09 Cu CG2 A:Val236 4.83 Cu NE2 A:His282 2.26 Cu ND1 A:His282 4.23 Cu CD2 A:His282 3.38 Cu CE1 A:His282 3.03 Cu CG A:His282 4.42 Cu NE2 A:His283 2.37 Cu ND1 A:His283 4.15 Cu CD2 A:His283 3.42 Cu CE1 A:His283 3.02 Cu CG A:His283 4.37 Cu C2D A:Has801 4.30 Cu NA A:Has801 4.70 Cu C1D A:Has801 3.75 Cu NB A:Has801 4.91 Cu FE A:Has801 4.40 Cu C4D A:Has801 4.42 Cu CHB A:Has801 3.91 Cu C3D A:Has801 4.73 Cu ND A:Has801 3.87 Cu C1B A:Has801 4.77 interactive model: Copper binding site 2 out of 3 in 3s3a Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 3s3a. 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: His114, B: Cys149, B: Gln151, B: Tyr152, B: Cys153, B: His157, B: Met160, B: Cua802, conact list: Atom Atom Distance (A) Cu ND1 B:His114 4.40 Cu O B:Cys149 4.56 Cu CB B:Cys149 3.49 Cu SG B:Cys149 2.25 Cu C B:Cys149 4.51 Cu CA B:Cys149 4.58 Cu O B:Gln151 2.55 Cu N B:Gln151 4.38 Cu C B:Gln151 3.61 Cu CA B:Gln151 4.64 Cu O B:Tyr152 4.92 Cu N B:Tyr152 4.31 Cu C B:Tyr152 4.03 Cu CA B:Tyr152 4.18 Cu N B:Cys153 3.40 Cu CB B:Cys153 3.17 Cu SG B:Cys153 2.06 Cu C B:Cys153 4.78 Cu CA B:Cys153 3.87 Cu O B:His157 4.30 Cu NE2 B:His157 4.11 Cu CB B:His157 3.35 Cu ND1 B:His157 2.02 Cu CD2 B:His157 4.15 Cu C B:His157 4.46 Cu CE1 B:His157 3.00 Cu CG B:His157 3.01 Cu CA B:His157 3.90 Cu CB B:Met160 4.99 Cu SD B:Met160 4.37 Cu CU1 B:Cua802 0.00 Cu CU2 B:Cua802 2.72 interactive model: Copper binding site 3 out of 3 in 3s3a Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 3s3a. 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: Phe86, B: Phe88, B: Ile113, B: His114, B: Gly115, B: Cys149, B: Gln151, B: Cys153, B: His157, B: Met160, B: Cua802, conact list: Atom Atom Distance (A) Cu O B:Phe86 4.68 Cu N B:Phe88 4.88 Cu O B:Ile113 4.87 Cu NE2 B:His114 4.05 Cu CB B:His114 3.51 Cu ND1 B:His114 1.99 Cu CD2 B:His114 4.16 Cu C B:His114 4.94 Cu CE1 B:His114 2.89 Cu CG B:His114 3.08 Cu CA B:His114 4.02 Cu N B:Gly115 4.69 Cu CB B:Cys149 3.44 Cu SG B:Cys149 2.09 Cu CA B:Cys149 4.74 Cu O B:Gln151 4.32 Cu CB B:Cys153 3.28 Cu SG B:Cys153 2.32 Cu CA B:Cys153 4.70 Cu ND1 B:His157 4.62 Cu CB B:Met160 4.26 Cu CE B:Met160 3.22 Cu CG B:Met160 3.86 Cu SD B:Met160 2.24 Cu CU1 B:Cua802 2.72 Cu CU2 B:Cua802 0.00 interactive model: