Copper in the structure of Disulfide-Linked Dimer of Azurin N42C/M64E Double Mutant (pdb 2oj1)

The binding sites of Copper atom in the structure of Disulfide-Linked Dimer of Azurin N42C/M64E Double Mutant (pdb code 2oj1). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 2oj1 structure was solved by T.E.DE JONGH, M.HOFFMANN, O.EINSLE, D.CAVAZZINI, G.L.ROSSI, M.UBBINK, G.W.CANTERS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 34.3-2.3 Space group P21212 a (A) 68.570 b (A) 116.980 c (A) 30.290 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.8 Rfree (%) 28.1 Copper Binding Sites: Copper binding site 1 out of 2 in 2oj1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 2oj1. 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: Phe114, A: His117, A: Met121, conact list: Atom Atom Distance (A) Cu O A:Gly45 3.01 Cu C A:Gly45 3.92 Cu NE2 A:His46 4.08 Cu N A:His46 4.15 Cu CB A:His46 3.47 Cu ND1 A:His46 2.03 Cu CD2 A:His46 4.16 Cu C A:His46 4.68 Cu CE1 A:His46 2.95 Cu CG A:His46 3.07 Cu CA A:His46 3.47 Cu N A:Asn47 4.74 Cu CB A:Cys112 3.21 Cu SG A:Cys112 2.30 Cu CA A:Cys112 4.64 Cu O A:Phe114 4.96 Cu N A:Phe114 4.82 Cu CB A:Phe114 3.73 Cu CD1 A:Phe114 4.71 Cu CG A:Phe114 4.40 Cu CA A:Phe114 4.82 Cu NE2 A:His117 4.01 Cu CB A:His117 3.26 Cu ND1 A:His117 1.91 Cu CD2 A:His117 4.03 Cu CE1 A:His117 2.90 Cu CG A:His117 2.91 Cu CA A:His117 4.77 Cu CE A:Met121 3.82 Cu CG A:Met121 4.71 Cu SD A:Met121 3.20 interactive model: Copper binding site 2 out of 2 in 2oj1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 2oj1. 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: Met44, B: Gly45, B: His46, B: Asn47, B: Cys112, B: Phe114, B: His117, B: Met121, conact list: Atom Atom Distance (A) Cu O B:Met44 4.81 Cu O B:Gly45 2.77 Cu C B:Gly45 3.70 Cu NE2 B:His46 4.15 Cu N B:His46 3.95 Cu CB B:His46 3.43 Cu ND1 B:His46 2.06 Cu CD2 B:His46 4.20 Cu C B:His46 4.64 Cu CE1 B:His46 3.02 Cu CG B:His46 3.08 Cu CA B:His46 3.35 Cu N B:Asn47 4.80 Cu CB B:Cys112 3.34 Cu SG B:Cys112 2.32 Cu CA B:Cys112 4.75 Cu O B:Phe114 4.93 Cu N B:Phe114 4.93 Cu CB B:Phe114 3.84 Cu CD1 B:Phe114 4.85 Cu CG B:Phe114 4.48 Cu CA B:Phe114 4.92 Cu NE2 B:His117 4.05 Cu CB B:His117 3.39 Cu ND1 B:His117 1.98 Cu CD2 B:His117 4.12 Cu CE1 B:His117 2.92 Cu CG B:His117 3.02 Cu CA B:His117 4.90 Cu CB B:Met121 4.93 Cu CE B:Met121 4.05 Cu CG B:Met121 4.57 Cu SD B:Met121 3.11 interactive model: