Copper in the structure of Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W From Thermus Thermophilus (pdb 4ev3)

The binding sites of Copper atom in the structure of Structure of Recombinant Cytochrome BA3 Oxidase Mutant Y133W From Thermus Thermophilus (pdb code 4ev3). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 4ev3 structure was solved by LI Y., CHEN Y., STOUT C.D., with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 74.6-2.7 Space group C121 a (A) 144.090 b (A) 97.960 c (A) 94.650 alpha (°) 90.00 beta (°) 127.99 gamma (°) 90.00 Rfactor (%) 17.3 Rfree (%) 23 Copper Binding Sites: Copper binding site 1 out of 3 in 4ev3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 4ev3. 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: Val236, A: His282, A: His283, A: Has603, A: Peo604, conact list: Atom Atom Distance (A) Cu O A:Gly232 4.93 Cu O A:His233 4.80 Cu NE2 A:His233 3.96 Cu N A:His233 4.59 Cu CB A:His233 3.09 Cu ND1 A:His233 1.86 Cu CD2 A:His233 3.94 Cu C A:His233 4.68 Cu CE1 A:His233 2.90 Cu CG A:His233 2.79 Cu CA A:His233 3.69 Cu CG2 A:Val236 4.92 Cu NE2 A:His282 2.01 Cu ND1 A:His282 4.09 Cu CD2 A:His282 3.04 Cu CE1 A:His282 2.96 Cu CG A:His282 4.17 Cu NE2 A:His283 1.99 Cu ND1 A:His283 4.04 Cu CD2 A:His283 2.93 Cu CE1 A:His283 2.97 Cu CG A:His283 4.05 Cu C2D A:Has603 4.62 Cu CHA A:Has603 4.84 Cu C1D A:Has603 4.28 Cu FE A:Has603 4.84 Cu C4D A:Has603 4.35 Cu CHB A:Has603 4.57 Cu C3D A:Has603 4.60 Cu ND A:Has603 4.43 Cu O1 A:Peo604 2.82 Cu O2 A:Peo604 2.36 interactive model: Copper binding site 2 out of 3 in 4ev3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 4ev3. 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: Cua201, conact list: Atom Atom Distance (A) Cu ND1 B:His114 4.35 Cu O B:Cys149 3.99 Cu CB B:Cys149 3.38 Cu SG B:Cys149 2.23 Cu C B:Cys149 4.21 Cu CA B:Cys149 4.43 Cu N B:Asn150 4.87 Cu O B:Gln151 2.54 Cu N B:Gln151 4.38 Cu C B:Gln151 3.51 Cu CA B:Gln151 4.54 Cu O B:Tyr152 4.77 Cu N B:Tyr152 4.17 Cu C B:Tyr152 3.95 Cu CA B:Tyr152 4.07 Cu N B:Cys153 3.48 Cu CB B:Cys153 3.31 Cu SG B:Cys153 2.32 Cu C B:Cys153 4.97 Cu CA B:Cys153 4.00 Cu O B:His157 4.20 Cu NE2 B:His157 4.06 Cu N B:His157 4.88 Cu CB B:His157 3.47 Cu ND1 B:His157 2.02 Cu CD2 B:His157 4.15 Cu C B:His157 4.36 Cu CE1 B:His157 2.93 Cu CG B:His157 3.07 Cu CA B:His157 3.69 Cu CB B:Met160 4.94 Cu SD B:Met160 4.53 Cu CU1 B:Cua201 0.00 Cu CU2 B:Cua201 2.65 interactive model: Copper binding site 3 out of 3 in 4ev3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 4ev3. 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: Phe88, B: Ile113, B: His114, B: Gly115, B: Cys149, B: Gln151, B: Cys153, B: His157, B: Met160, B: Cua201, conact list: Atom Atom Distance (A) Cu CD2 B:Phe88 4.73 Cu O B:Ile113 4.62 Cu NE2 B:His114 4.00 Cu CB B:His114 3.66 Cu ND1 B:His114 2.04 Cu CD2 B:His114 4.18 Cu CE1 B:His114 2.83 Cu CG B:His114 3.16 Cu CA B:His114 4.10 Cu N B:Gly115 4.88 Cu CB B:Cys149 3.29 Cu SG B:Cys149 2.19 Cu CA B:Cys149 4.71 Cu O B:Gln151 4.11 Cu N B:Cys153 4.83 Cu CB B:Cys153 3.10 Cu SG B:Cys153 2.17 Cu CA B:Cys153 4.52 Cu ND1 B:His157 4.60 Cu CB B:Met160 4.17 Cu CE B:Met160 3.05 Cu CG B:Met160 3.76 Cu SD B:Met160 2.34 Cu CU1 B:Cua201 2.65 Cu CU2 B:Cua201 0.00 interactive model: