Copper in the structure of Crystal Structure of the Aberrant BA3-Cytochrome-C Oxidase From Thermus Thermophilus (pdb 1ehk)

The binding sites of Copper atom in the structure of Crystal Structure of the Aberrant BA3-Cytochrome-C Oxidase From Thermus Thermophilus (pdb code 1ehk). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1ehk structure was solved by T.SOULIMANE, G.BUSE, G.P.BOURENKOV, H.D.BARTUNIK, R.HUBER, M.E.THAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.4 Space group P43212 a (A) 112.110 b (A) 112.110 c (A) 161.410 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 22.2 Rfree (%) 26.4 Copper Binding Sites: Copper binding site 1 out of 3 in 1ehk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1ehk. 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: Gly232, A: His233, A: His282, A: His283, A: Has801, A: Hoh991, conact list: Atom Atom Distance (A) Cu O A:Gly232 4.84 Cu O A:His233 4.74 Cu NE2 A:His233 4.20 Cu N A:His233 4.56 Cu CB A:His233 3.22 Cu ND1 A:His233 2.10 Cu CD2 A:His233 4.20 Cu C A:His233 4.62 Cu CE1 A:His233 3.18 Cu CG A:His233 2.98 Cu CA A:His233 3.59 Cu NE2 A:His282 2.21 Cu ND1 A:His282 4.20 Cu CD2 A:His282 3.32 Cu CE1 A:His282 2.99 Cu CG A:His282 4.31 Cu NE2 A:His283 2.13 Cu ND1 A:His283 4.01 Cu CD2 A:His283 3.24 Cu CE1 A:His283 2.83 Cu CG A:His283 4.15 Cu C2D A:Has801 4.39 Cu NA A:Has801 4.84 Cu CHA A:Has801 4.70 Cu C1D A:Has801 4.00 Cu NB A:Has801 4.70 Cu FE A:Has801 4.39 Cu C4D A:Has801 4.18 Cu CHB A:Has801 4.42 Cu C3D A:Has801 4.49 Cu ND A:Has801 3.89 Cu C1B A:Has801 4.75 Cu C1A A:Has801 4.98 Cu O A:Hoh991 2.31 interactive model: Copper binding site 2 out of 3 in 1ehk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1ehk. 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, B: Hoh806, conact list: Atom Atom Distance (A) Cu ND1 B:His114 4.30 Cu O B:Cys149 4.02 Cu CB B:Cys149 3.46 Cu SG B:Cys149 2.32 Cu C B:Cys149 4.36 Cu CA B:Cys149 4.58 Cu O B:Gln151 2.76 Cu N B:Gln151 4.22 Cu C B:Gln151 3.58 Cu CA B:Gln151 4.51 Cu O B:Tyr152 4.89 Cu N B:Tyr152 4.21 Cu C B:Tyr152 4.03 Cu CA B:Tyr152 4.16 Cu N B:Cys153 3.51 Cu CB B:Cys153 3.39 Cu SG B:Cys153 2.48 Cu CA B:Cys153 4.09 Cu O B:His157 4.28 Cu NE2 B:His157 4.15 Cu CB B:His157 3.67 Cu ND1 B:His157 2.08 Cu CD2 B:His157 4.30 Cu C B:His157 4.54 Cu CE1 B:His157 2.98 Cu CG B:His157 3.18 Cu CA B:His157 3.94 Cu CB B:Met160 4.78 Cu SD B:Met160 4.34 Cu CU1 B:Cua802 0.00 Cu CU2 B:Cua802 2.42 Cu O B:Hoh806 4.96 interactive model: Copper binding site 3 out of 3 in 1ehk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 1ehk. 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 4.83 Cu CD1 B:Phe88 4.69 Cu O B:Ile113 4.63 Cu NE2 B:His114 4.12 Cu CB B:His114 3.88 Cu ND1 B:His114 2.12 Cu CD2 B:His114 4.36 Cu CE1 B:His114 2.91 Cu CG B:His114 3.30 Cu CA B:His114 4.23 Cu N B:Gly115 4.95 Cu CB B:Cys149 3.40 Cu SG B:Cys149 2.40 Cu CA B:Cys149 4.82 Cu O B:Gln151 4.09 Cu N B:Cys153 4.74 Cu CB B:Cys153 3.17 Cu SG B:Cys153 2.37 Cu CA B:Cys153 4.55 Cu ND1 B:His157 4.44 Cu CB B:Met160 4.32 Cu CE B:Met160 3.47 Cu CG B:Met160 3.88 Cu SD B:Met160 2.50 Cu CU1 B:Cua802 2.42 Cu CU2 B:Cua802 0.00 interactive model: