Copper in the structure of Structure of Recombinant Cytochrome BA3 Oxidase From Thermus Thermophilus (pdb 1xme)

The binding sites of Copper atom in the structure of Structure of Recombinant Cytochrome BA3 Oxidase From Thermus Thermophilus (pdb code 1xme). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1xme structure was solved by L.M.HUNSICKER-WANG, R.L.PACOMA, Y.CHEN, J.A.FEE, C.D.STOUT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 21.4-2.3 Space group P43212 a (A) 114.902 b (A) 114.902 c (A) 177.064 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.7 Rfree (%) 23.6 Copper Binding Sites: Copper binding site 1 out of 3 in 1xme Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1xme. 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: His282, A: His283, A: Has801, A: Hoh867, conact list: Atom Atom Distance (A) Cu O A:His233 4.88 Cu NE2 A:His233 4.06 Cu N A:His233 4.76 Cu CB A:His233 3.28 Cu ND1 A:His233 1.96 Cu CD2 A:His233 4.06 Cu C A:His233 4.78 Cu CE1 A:His233 2.96 Cu CG A:His233 2.94 Cu CA A:His233 3.81 Cu NE2 A:His282 1.96 Cu ND1 A:His282 3.97 Cu CD2 A:His282 3.09 Cu CE1 A:His282 2.80 Cu CG A:His282 4.14 Cu NE2 A:His283 1.97 Cu ND1 A:His283 3.85 Cu CD2 A:His283 2.97 Cu CE1 A:His283 2.78 Cu CG A:His283 3.98 Cu C2D A:Has801 4.45 Cu NA A:Has801 4.79 Cu CHA A:Has801 4.70 Cu C1D A:Has801 4.09 Cu NB A:Has801 4.73 Cu FE A:Has801 4.39 Cu C4D A:Has801 4.20 Cu CHB A:Has801 4.53 Cu C3D A:Has801 4.52 Cu ND A:Has801 3.93 Cu C1B A:Has801 4.83 Cu C1A A:Has801 4.94 Cu O A:Hoh867 2.07 interactive model: Copper binding site 2 out of 3 in 1xme Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1xme. 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: Asn150, B: Gln151, B: Tyr152, B: Cys153, B: His157, B: Met160, B: Cua802, B: Hoh814, conact list: Atom Atom Distance (A) Cu ND1 B:His114 4.30 Cu O B:Cys149 4.14 Cu CB B:Cys149 3.38 Cu SG B:Cys149 2.44 Cu C B:Cys149 4.33 Cu CA B:Cys149 4.48 Cu N B:Asn150 4.98 Cu O B:Gln151 2.75 Cu N B:Gln151 4.21 Cu C B:Gln151 3.57 Cu CA B:Gln151 4.51 Cu O B:Tyr152 4.97 Cu N B:Tyr152 4.20 Cu C B:Tyr152 4.10 Cu CA B:Tyr152 4.20 Cu N B:Cys153 3.62 Cu CB B:Cys153 3.57 Cu SG B:Cys153 2.45 Cu CA B:Cys153 4.23 Cu O B:His157 4.02 Cu NE2 B:His157 4.19 Cu CB B:His157 3.46 Cu ND1 B:His157 2.12 Cu CD2 B:His157 4.24 Cu C B:His157 4.33 Cu CE1 B:His157 3.07 Cu CG B:His157 3.12 Cu CA B:His157 3.85 Cu CB B:Met160 4.73 Cu SD B:Met160 4.53 Cu CU1 B:Cua802 0.00 Cu CU2 B:Cua802 2.51 Cu O B:Hoh814 4.98 interactive model: Copper binding site 3 out of 3 in 1xme Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 1xme. 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: 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 4.77 Cu O B:Ile113 4.64 Cu NE2 B:His114 3.99 Cu CB B:His114 3.69 Cu ND1 B:His114 2.01 Cu CD2 B:His114 4.18 Cu CE1 B:His114 2.79 Cu CG B:His114 3.17 Cu CA B:His114 4.07 Cu N B:Gly115 4.79 Cu CB B:Cys149 3.52 Cu SG B:Cys149 2.48 Cu CA B:Cys149 4.91 Cu O B:Gln151 4.14 Cu N B:Cys153 4.89 Cu CB B:Cys153 3.37 Cu SG B:Cys153 2.30 Cu CA B:Cys153 4.73 Cu ND1 B:His157 4.57 Cu CB B:Met160 4.24 Cu CE B:Met160 3.16 Cu CG B:Met160 3.90 Cu SD B:Met160 2.61 Cu CU1 B:Cua802 2.51 Cu CU2 B:Cua802 0.00 interactive model: