Copper in the structure of Pseudomonas Aeruginosa Azurin With Mutated Metal-Binding Loop Sequence (Caaaahaaaam) (pdb 3fsz)

The binding sites of Copper atom in the structure of Pseudomonas Aeruginosa Azurin With Mutated Metal-Binding Loop Sequence (Caaaahaaaam) (pdb code 3fsz). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 3fsz structure was solved by M.J.BANFIELD, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 21.4-2.0 Space group P1211 a (A) 34.824 b (A) 86.959 c (A) 41.848 alpha (°) 90.00 beta (°) 113.82 gamma (°) 90.00 Rfactor (%) 18.4 Rfree (%) 25.5 Copper Binding Sites: Copper binding site 1 out of 2 in 3fsz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 3fsz. 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: Ala114, A: His117, A: Met122, conact list: Atom Atom Distance (A) Cu O A:Gly45 3.29 Cu C A:Gly45 4.07 Cu NE2 A:His46 4.25 Cu N A:His46 4.17 Cu CB A:His46 3.55 Cu ND1 A:His46 2.18 Cu CD2 A:His46 4.32 Cu C A:His46 4.54 Cu CE1 A:His46 3.10 Cu CG A:His46 3.21 Cu CA A:His46 3.42 Cu N A:Asn47 4.51 Cu CB A:Cys112 3.18 Cu SG A:Cys112 2.10 Cu CA A:Cys112 4.60 Cu N A:Ala114 4.86 Cu CB A:Ala114 3.91 Cu CA A:Ala114 4.93 Cu NE2 A:His117 4.17 Cu CB A:His117 3.38 Cu ND1 A:His117 2.12 Cu CD2 A:His117 4.19 Cu CE1 A:His117 3.08 Cu CG A:His117 3.07 Cu CA A:His117 4.88 Cu CB A:Met122 4.87 Cu CE A:Met122 3.75 Cu CG A:Met122 4.70 Cu SD A:Met122 3.26 interactive model: Copper binding site 2 out of 2 in 3fsz Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 3fsz. 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: Ala114, B: His117, B: Met122, conact list: Atom Atom Distance (A) Cu O B:Gly45 3.16 Cu C B:Gly45 3.97 Cu NE2 B:His46 4.09 Cu N B:His46 4.09 Cu CB B:His46 3.37 Cu ND1 B:His46 2.00 Cu CD2 B:His46 4.13 Cu C B:His46 4.56 Cu CE1 B:His46 2.97 Cu CG B:His46 3.01 Cu CA B:His46 3.37 Cu N B:Asn47 4.62 Cu CB B:Cys112 3.20 Cu SG B:Cys112 2.16 Cu CA B:Cys112 4.62 Cu N B:Ala114 4.91 Cu CB B:Ala114 3.90 Cu CA B:Ala114 4.96 Cu NE2 B:His117 4.17 Cu CB B:His117 3.40 Cu ND1 B:His117 2.15 Cu CD2 B:His117 4.19 Cu CE1 B:His117 3.09 Cu CG B:His117 3.08 Cu CA B:His117 4.89 Cu CB B:Met122 4.85 Cu CE B:Met122 3.69 Cu CG B:Met122 4.62 Cu SD B:Met122 3.15 interactive model: