Copper in the structure of Crystal Structure of Cu(I) PHE114PRO Azurin Mutant (pdb 2gi0)

The binding sites of Copper atom in the structure of Crystal Structure of Cu(I) PHE114PRO Azurin Mutant (pdb code 2gi0). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2gi0 structure was solved by S YANAGISAWA, M.J.BANFIELD, C.DENNISON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 47.8-1.7 Space group P212121 a (A) 35.390 b (A) 47.860 c (A) 132.550 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.9 Rfree (%) 22.4 Copper Binding Sites: Copper binding site 1 out of 2 in 2gi0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2gi0. 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: Pro114, A: His117, A: Met121, conact list: Atom Atom Distance (A) Cu O A:Gly45 3.80 Cu C A:Gly45 4.60 Cu NE2 A:His46 4.11 Cu N A:His46 4.59 Cu CB A:His46 3.56 Cu ND1 A:His46 2.07 Cu CD2 A:His46 4.23 Cu C A:His46 4.79 Cu CE1 A:His46 2.95 Cu CG A:His46 3.16 Cu CA A:His46 3.69 Cu N A:Asn47 4.72 Cu CB A:Cys112 3.31 Cu SG A:Cys112 2.27 Cu C A:Cys112 4.98 Cu CA A:Cys112 4.65 Cu CB A:Pro114 4.89 Cu CD A:Pro114 4.26 Cu CG A:Pro114 4.26 Cu NE2 A:His117 4.09 Cu CB A:His117 3.39 Cu ND1 A:His117 2.00 Cu CD2 A:His117 4.15 Cu CE1 A:His117 2.95 Cu CG A:His117 3.03 Cu CA A:His117 4.80 Cu CB A:Met121 4.59 Cu CE A:Met121 3.41 Cu CG A:Met121 4.29 Cu SD A:Met121 2.78 interactive model: Copper binding site 2 out of 2 in 2gi0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2gi0. 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: Met13, B: Gly45, B: His46, B: Asn47, B: Cys112, B: Pro114, B: His117, B: Met121, conact list: Atom Atom Distance (A) Cu CG B:Met13 4.93 Cu O B:Gly45 3.80 Cu C B:Gly45 4.62 Cu NE2 B:His46 4.16 Cu N B:His46 4.61 Cu CB B:His46 3.56 Cu ND1 B:His46 2.11 Cu CD2 B:His46 4.25 Cu C B:His46 4.78 Cu CE1 B:His46 3.01 Cu CG B:His46 3.16 Cu CA B:His46 3.71 Cu N B:Asn47 4.69 Cu CB B:Cys112 3.35 Cu SG B:Cys112 2.22 Cu C B:Cys112 4.94 Cu CA B:Cys112 4.65 Cu CB B:Pro114 4.81 Cu CD B:Pro114 4.24 Cu CG B:Pro114 4.24 Cu NE2 B:His117 4.10 Cu CB B:His117 3.45 Cu ND1 B:His117 2.04 Cu CD2 B:His117 4.18 Cu CE1 B:His117 2.96 Cu CG B:His117 3.09 Cu CA B:His117 4.83 Cu CB B:Met121 4.49 Cu CE B:Met121 3.41 Cu CG B:Met121 4.20 Cu SD B:Met121 2.65 interactive model: