Copper in the structure of The D62C/K74C Double Mutant of Pseudomonas Aeruginosa Azurin (pdb 1xb3)

The binding sites of Copper atom in the structure of The D62C/K74C Double Mutant of Pseudomonas Aeruginosa Azurin (pdb code 1xb3). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1xb3 structure was solved by A.TIGERSTROM, F.SCHWARZ, G.KARLSSON, M.OKVIST, C.ALVAREZ-RUA, D.MAEDER, F.T.ROBB, L.SJOLIN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 59.8-1.5 Space group P21212 a (A) 81.412 b (A) 87.338 c (A) 31.366 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17 Rfree (%) 21.4 Copper Binding Sites: Copper binding site 1 out of 2 in 1xb3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1xb3. 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: Met13, A: Gly45, A: His46, A: Asn47, A: Cys112, A: Phe114, A: His117, A: Met121, conact list: Atom Atom Distance (A) Cu SD A:Met13 4.87 Cu O A:Gly45 2.73 Cu C A:Gly45 3.69 Cu NE2 A:His46 4.12 Cu N A:His46 3.95 Cu CB A:His46 3.50 Cu ND1 A:His46 2.05 Cu CD2 A:His46 4.19 Cu C A:His46 4.53 Cu CE1 A:His46 2.98 Cu CG A:His46 3.09 Cu CA A:His46 3.34 Cu N A:Asn47 4.59 Cu CB A:Cys112 3.25 Cu SG A:Cys112 2.25 Cu CA A:Cys112 4.64 Cu N A:Phe114 4.76 Cu CB A:Phe114 3.82 Cu CG A:Phe114 4.66 Cu CA A:Phe114 4.90 Cu NE2 A:His117 4.11 Cu CB A:His117 3.44 Cu ND1 A:His117 2.03 Cu CD2 A:His117 4.17 Cu CE1 A:His117 2.98 Cu CG A:His117 3.06 Cu CA A:His117 4.95 Cu CE A:Met121 4.04 Cu CG A:Met121 4.74 Cu SD A:Met121 3.31 interactive model: Copper binding site 2 out of 2 in 1xb3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1xb3. 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: Met44, B: Gly45, B: His46, B: Asn47, B: Cys112, B: Phe114, B: His117, B: Met121, conact list: Atom Atom Distance (A) Cu O B:Met44 4.94 Cu O B:Gly45 2.81 Cu C B:Gly45 3.71 Cu NE2 B:His46 4.15 Cu N B:His46 3.96 Cu CB B:His46 3.50 Cu ND1 B:His46 2.06 Cu CD2 B:His46 4.21 Cu C B:His46 4.53 Cu CE1 B:His46 3.01 Cu CG B:His46 3.11 Cu CA B:His46 3.35 Cu N B:Asn47 4.56 Cu CB B:Cys112 3.31 Cu SG B:Cys112 2.21 Cu CA B:Cys112 4.71 Cu N B:Phe114 4.74 Cu CB B:Phe114 3.78 Cu CG B:Phe114 4.65 Cu CA B:Phe114 4.87 Cu NE2 B:His117 4.09 Cu CB B:His117 3.44 Cu ND1 B:His117 2.02 Cu CD2 B:His117 4.17 Cu CE1 B:His117 2.95 Cu CG B:His117 3.07 Cu CA B:His117 4.96 Cu CB B:Met121 4.93 Cu CE B:Met121 3.89 Cu CG B:Met121 4.73 Cu SD B:Met121 3.27 interactive model: