Copper in the structure of C112D/M121E Pseudomonas Aeruginosa Azurin (pdb 3np3)

The binding sites of Copper atom in the structure of C112D/M121E Pseudomonas Aeruginosa Azurin (pdb code 3np3). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 3np3 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) 19.3-2.1 Space group C2221 a (A) 48.860 b (A) 54.240 c (A) 94.230 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.4 Rfree (%) 26.5 Copper Binding Sites: Copper binding site 1 out of 2 in 3np3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 3np3. 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: Asn47, A: Asp112, A: Phe114, A: His117, A: Glu121, conact list: Atom Atom Distance (A) Cu O A:Met44 4.92 Cu O A:Gly45 2.62 Cu C A:Gly45 3.55 Cu CA A:Gly45 4.90 Cu NE2 A:His46 4.04 Cu N A:His46 3.81 Cu CB A:His46 3.42 Cu ND1 A:His46 1.96 Cu CD2 A:His46 4.11 Cu C A:His46 4.54 Cu CE1 A:His46 2.91 Cu CG A:His46 3.01 Cu CA A:His46 3.26 Cu N A:Asn47 4.71 Cu CB A:Asp112 3.91 Cu OD2 A:Asp112 1.73 Cu OD1 A:Asp112 3.25 Cu CG A:Asp112 2.73 Cu CB A:Phe114 3.81 Cu CD2 A:Phe114 4.94 Cu CG A:Phe114 4.55 Cu CA A:Phe114 4.95 Cu NE2 A:His117 4.15 Cu CB A:His117 3.27 Cu ND1 A:His117 2.06 Cu CD2 A:His117 4.14 Cu CE1 A:His117 3.07 Cu CG A:His117 2.99 Cu CA A:His117 4.81 Cu OE1 A:Glu121 2.67 Cu OE2 A:Glu121 3.94 Cu CD A:Glu121 3.67 interactive model: Copper binding site 2 out of 2 in 3np3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 3np3. 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: Cys3, A: Ser25, A: Trs131, A: Hoh152, conact list: Atom Atom Distance (A) Cu O A:Ala1 2.35 Cu N A:Ala1 1.74 Cu C A:Ala1 3.02 Cu CB A:Ala1 3.67 Cu CA A:Ala1 2.97 Cu N A:Glu2 4.31 Cu SG A:Cys3 4.37 Cu OG A:Ser25 4.35 Cu N A:Trs131 2.04 Cu C1 A:Trs131 3.05 Cu O1 A:Trs131 2.49 Cu C3 A:Trs131 3.65 Cu C A:Trs131 2.95 Cu O3 A:Trs131 4.40 Cu C2 A:Trs131 4.19 Cu O A:Hoh152 4.33 interactive model: