Copper in the structure of Crystal Structure of Cu(I) Azurin With the Metal-Binding Loop Sequence "Ctfpghsalm" Replaced With "Csphqgagm", At PH3.5 (pdb 2hxa)

The binding sites of Copper atom in the structure of Crystal Structure of Cu(I) Azurin With the Metal-Binding Loop Sequence "Ctfpghsalm" Replaced With "Csphqgagm", At PH3.5 (pdb code 2hxa). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2hxa structure was solved by M.J.BANFIELD, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 35.6-2.2 Space group P212121 a (A) 38.338 b (A) 65.726 c (A) 97.577 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.9 Rfree (%) 26.7 Copper Binding Sites: Copper binding site 1 out of 2 in 2hxa Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2hxa. 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: His115, A: Met120, conact list: Atom Atom Distance (A) Cu O A:Gly45 3.15 Cu C A:Gly45 3.97 Cu NE2 A:His46 4.16 Cu N A:His46 4.09 Cu CB A:His46 3.55 Cu ND1 A:His46 2.15 Cu CD2 A:His46 4.25 Cu C A:His46 4.50 Cu CE1 A:His46 3.04 Cu CG A:His46 3.17 Cu CA A:His46 3.37 Cu N A:Asn47 4.49 Cu CB A:Cys112 3.24 Cu SG A:Cys112 2.18 Cu CA A:Cys112 4.65 Cu CD A:Pro114 4.94 Cu CG A:Pro114 4.42 Cu NE2 A:His115 4.50 Cu N A:His115 4.21 Cu CB A:His115 3.34 Cu ND1 A:His115 2.37 Cu CD2 A:His115 4.42 Cu CE1 A:His115 3.43 Cu CG A:His115 3.22 Cu CA A:His115 4.37 Cu CB A:Met120 5.00 Cu CE A:Met120 3.78 Cu CG A:Met120 4.66 Cu SD A:Met120 3.20 interactive model: Copper binding site 2 out of 2 in 2hxa Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2hxa. 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: Pro114, B: His115, B: Met120, conact list: Atom Atom Distance (A) Cu O B:Gly45 3.24 Cu C B:Gly45 4.06 Cu NE2 B:His46 4.26 Cu N B:His46 4.15 Cu CB B:His46 3.51 Cu ND1 B:His46 2.19 Cu CD2 B:His46 4.31 Cu C B:His46 4.54 Cu CE1 B:His46 3.14 Cu CG B:His46 3.19 Cu CA B:His46 3.41 Cu N B:Asn47 4.53 Cu CB B:Cys112 3.36 Cu SG B:Cys112 2.14 Cu CA B:Cys112 4.74 Cu CB B:Pro114 4.83 Cu CD B:Pro114 4.76 Cu CG B:Pro114 4.12 Cu NE2 B:His115 4.33 Cu N B:His115 4.17 Cu CB B:His115 3.30 Cu ND1 B:His115 2.22 Cu CD2 B:His115 4.28 Cu CE1 B:His115 3.26 Cu CG B:His115 3.11 Cu CA B:His115 4.35 Cu CB B:Met120 4.95 Cu CE B:Met120 3.84 Cu CG B:Met120 4.81 Cu SD B:Met120 3.35 interactive model: