Copper in the structure of Structure of Ruthenium-Modified Pseudomonas Aeruginosa Azurin (pdb 1bex)

The binding sites of Copper atom in the structure of Structure of Ruthenium-Modified Pseudomonas Aeruginosa Azurin (pdb code 1bex). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1bex structure was solved by S.FAHAM, M.W.DAY, D.C.REES, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.3 Space group C121 a (A) 100.600 b (A) 35.400 c (A) 74.700 alpha (°) 90.00 beta (°) 106.50 gamma (°) 90.00 Rfactor (%) 20.9 Rfree (%) 28.9 Copper Binding Sites: Copper binding site 1 out of 4 in 1bex Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1bex. 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: Gly45, A: His46, A: Asn47, A: Cys112, A: Phe114, A: His117, A: Met121, conact list: Atom Atom Distance (A) Cu O A:Gly45 3.00 Cu C A:Gly45 3.86 Cu NE2 A:His46 4.09 Cu N A:His46 4.09 Cu CB A:His46 3.63 Cu ND1 A:His46 2.07 Cu CD2 A:His46 4.24 Cu C A:His46 4.65 Cu CE1 A:His46 2.91 Cu CG A:His46 3.19 Cu CA A:His46 3.46 Cu N A:Asn47 4.73 Cu CB A:Cys112 3.37 Cu SG A:Cys112 2.26 Cu CA A:Cys112 4.77 Cu N A:Phe114 4.88 Cu CB A:Phe114 3.87 Cu CG A:Phe114 4.70 Cu CA A:Phe114 4.99 Cu NE2 A:His117 4.14 Cu CB A:His117 3.40 Cu ND1 A:His117 2.06 Cu CD2 A:His117 4.19 Cu CE1 A:His117 3.02 Cu CG A:His117 3.07 Cu CA A:His117 4.85 Cu CE A:Met121 3.98 Cu CG A:Met121 4.48 Cu SD A:Met121 3.11 interactive model: Copper binding site 2 out of 4 in 1bex Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1bex. 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: Ala1, A: Glu2, A: Asp23, A: Cys26, A: Hoh501, conact list: Atom Atom Distance (A) Cu O A:Ala1 2.25 Cu N A:Ala1 1.78 Cu C A:Ala1 2.77 Cu CB A:Ala1 3.92 Cu CA A:Ala1 2.77 Cu N A:Glu2 3.98 Cu CA A:Glu2 4.75 Cu CB A:Asp23 4.06 Cu OD2 A:Asp23 2.44 Cu OD1 A:Asp23 4.28 Cu CG A:Asp23 3.41 Cu SG A:Cys26 4.98 Cu O A:Hoh501 2.89 interactive model: Copper binding site 3 out of 4 in 1bex Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 1bex. 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: Gly45, B: His46, B: Asn47, B: Cys112, B: Phe114, B: His117, B: Met121, conact list: Atom Atom Distance (A) Cu O B:Gly45 2.97 Cu C B:Gly45 3.82 Cu NE2 B:His46 4.11 Cu N B:His46 4.02 Cu CB B:His46 3.58 Cu ND1 B:His46 2.08 Cu CD2 B:His46 4.23 Cu C B:His46 4.56 Cu CE1 B:His46 2.95 Cu CG B:His46 3.17 Cu CA B:His46 3.38 Cu N B:Asn47 4.61 Cu CB B:Cys112 3.34 Cu SG B:Cys112 2.25 Cu CA B:Cys112 4.73 Cu N B:Phe114 4.87 Cu CB B:Phe114 3.87 Cu CG B:Phe114 4.72 Cu CA B:Phe114 4.99 Cu NE2 B:His117 4.18 Cu CB B:His117 3.45 Cu ND1 B:His117 2.10 Cu CD2 B:His117 4.23 Cu CE1 B:His117 3.05 Cu CG B:His117 3.11 Cu CA B:His117 4.92 Cu CE B:Met121 3.94 Cu CG B:Met121 4.59 Cu SD B:Met121 3.10 interactive model: Copper binding site 4 out of 4 in 1bex Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 1bex. 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: Ala1, B: Glu2, B: Asp23, B: Cys26, conact list: Atom Atom Distance (A) Cu O B:Ala1 2.27 Cu N B:Ala1 2.01 Cu C B:Ala1 2.86 Cu CB B:Ala1 4.11 Cu CA B:Ala1 2.96 Cu N B:Glu2 4.06 Cu C B:Glu2 5.00 Cu CA B:Glu2 4.76 Cu CB B:Asp23 4.09 Cu OD2 B:Asp23 2.43 Cu OD1 B:Asp23 4.24 Cu CG B:Asp23 3.40 Cu SG B:Cys26 4.90 interactive model: