Copper in the structure of Azurin C112D/M121L (pdb 3fpy)

The binding sites of Copper atom in the structure of Azurin C112D/M121L (pdb code 3fpy). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 3fpy structure was solved by K.M.LANCASTER, H.B.GRAY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 24.2-2.1 Space group P6122 a (A) 48.620 b (A) 48.620 c (A) 276.311 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 17.5 Rfree (%) 23.6 Copper Binding Sites: Copper binding site 1 out of 2 in 3fpy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 3fpy. 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: Cys3, A: Ser25, A: Trs131, A: Hoh217, A: Hoh236, A: Hoh267, conact list: Atom Atom Distance (A) Cu O A:Ala1 3.55 Cu N A:Ala1 2.40 Cu C A:Ala1 4.21 Cu CB A:Ala1 4.74 Cu CA A:Ala1 3.90 Cu SG A:Cys3 4.34 Cu O A:Ser25 4.43 Cu OG A:Ser25 4.38 Cu C A:Ser25 4.94 Cu O2 A:Trs131 4.75 Cu N A:Trs131 1.92 Cu C1 A:Trs131 4.01 Cu O1 A:Trs131 4.36 Cu C3 A:Trs131 3.02 Cu C A:Trs131 2.84 Cu O3 A:Trs131 2.96 Cu C2 A:Trs131 3.39 Cu O A:Hoh217 2.99 Cu O A:Hoh236 4.76 Cu O A:Hoh267 2.73 interactive model: Copper binding site 2 out of 2 in 3fpy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 3fpy. 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: Met44, A: Gly45, A: His46, A: Asp112, A: Phe114, A: His117, A: Leu121, conact list: Atom Atom Distance (A) Cu O A:Met44 4.41 Cu C A:Met44 4.55 Cu O A:Gly45 2.35 Cu N A:Gly45 4.64 Cu C A:Gly45 3.34 Cu CA A:Gly45 4.63 Cu NE2 A:His46 3.96 Cu N A:His46 3.73 Cu CB A:His46 3.61 Cu ND1 A:His46 1.94 Cu CD2 A:His46 4.11 Cu C A:His46 4.81 Cu CE1 A:His46 2.78 Cu CG A:His46 3.09 Cu CA A:His46 3.41 Cu CB A:Asp112 4.23 Cu OD2 A:Asp112 1.92 Cu OD1 A:Asp112 3.42 Cu CG A:Asp112 3.00 Cu CB A:Phe114 3.82 Cu CD2 A:Phe114 4.74 Cu CG A:Phe114 4.42 Cu NE2 A:His117 4.14 Cu CB A:His117 3.38 Cu ND1 A:His117 2.04 Cu CD2 A:His117 4.18 Cu CE1 A:His117 3.00 Cu CG A:His117 3.05 Cu CA A:His117 4.83 Cu CD1 A:Leu121 3.84 Cu CD2 A:Leu121 4.88 Cu CG A:Leu121 4.77 interactive model: