Copper in the structure of Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin (pdb 3jtb)

The binding sites of Copper atom in the structure of Cu(II) N47S/F114N Variant of Pseudomonas Aeruginosa Azurin (pdb code 3jtb). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 3jtb structure was solved by Y.G.GAO, H.ROBINSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-1.8 Space group P1211 a (A) 49.740 b (A) 63.790 c (A) 85.150 alpha (°) 90.00 beta (°) 91.12 gamma (°) 90.00 Rfactor (%) 22.7 Rfree (%) 25.9 Copper Binding Sites: Copper binding site 1 out of 4 in 3jtb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 3jtb. 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: Ser47, A: Cys112, A: Asn114, A: His117, A: Met121, conact list: Atom Atom Distance (A) Cu O A:Gly45 2.81 Cu C A:Gly45 3.76 Cu NE2 A:His46 4.08 Cu N A:His46 4.03 Cu CB A:His46 3.57 Cu ND1 A:His46 2.07 Cu CD2 A:His46 4.21 Cu C A:His46 4.53 Cu CE1 A:His46 2.92 Cu CG A:His46 3.14 Cu CA A:His46 3.38 Cu N A:Ser47 4.51 Cu CB A:Cys112 3.19 Cu SG A:Cys112 2.17 Cu C A:Cys112 4.91 Cu CA A:Cys112 4.58 Cu N A:Asn114 4.81 Cu CB A:Asn114 3.98 Cu CG A:Asn114 4.84 Cu NE2 A:His117 4.29 Cu CB A:His117 3.51 Cu ND1 A:His117 2.30 Cu CD2 A:His117 4.28 Cu CE1 A:His117 3.23 Cu CG A:His117 3.19 Cu CA A:His117 4.91 Cu CB A:Met121 4.88 Cu CE A:Met121 2.21 Cu CG A:Met121 4.31 Cu SD A:Met121 3.23 interactive model: Copper binding site 2 out of 4 in 3jtb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 3jtb. 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: Ser47, B: Cys112, B: Asn114, B: His117, B: Met121, conact list: Atom Atom Distance (A) Cu O B:Gly45 2.83 Cu C B:Gly45 3.78 Cu NE2 B:His46 4.09 Cu N B:His46 4.07 Cu CB B:His46 3.76 Cu ND1 B:His46 2.11 Cu CD2 B:His46 4.26 Cu C B:His46 4.53 Cu CE1 B:His46 2.90 Cu CG B:His46 3.25 Cu CA B:His46 3.43 Cu N B:Ser47 4.45 Cu CB B:Cys112 3.46 Cu SG B:Cys112 2.23 Cu CA B:Cys112 4.84 Cu CB B:Asn114 4.08 Cu CG B:Asn114 4.95 Cu NE2 B:His117 4.28 Cu CB B:His117 3.50 Cu ND1 B:His117 2.22 Cu CD2 B:His117 4.31 Cu CE1 B:His117 3.17 Cu CG B:His117 3.19 Cu CB B:Met121 4.98 Cu CE B:Met121 3.84 Cu CG B:Met121 4.67 Cu SD B:Met121 3.15 interactive model: Copper binding site 3 out of 4 in 3jtb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 3jtb. 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: C: Gly45, C: His46, C: Ser47, C: Cys112, C: Asn114, C: His117, C: Met121, conact list: Atom Atom Distance (A) Cu O C:Gly45 2.80 Cu C C:Gly45 3.78 Cu NE2 C:His46 3.32 Cu N C:His46 4.09 Cu CB C:His46 3.55 Cu ND1 C:His46 1.96 Cu CD2 C:His46 3.54 Cu C C:His46 4.55 Cu CE1 C:His46 2.40 Cu CG C:His46 2.85 Cu CA C:His46 3.42 Cu N C:Ser47 4.46 Cu CB C:Cys112 3.14 Cu SG C:Cys112 2.21 Cu CA C:Cys112 4.59 Cu N C:Asn114 4.82 Cu CB C:Asn114 3.98 Cu CG C:Asn114 4.93 Cu NE2 C:His117 4.35 Cu CB C:His117 3.33 Cu ND1 C:His117 2.24 Cu CD2 C:His117 4.31 Cu CE1 C:His117 3.28 Cu CG C:His117 3.13 Cu CA C:His117 4.81 Cu CB C:Met121 4.87 Cu CE C:Met121 2.12 Cu CG C:Met121 4.64 Cu SD C:Met121 3.13 interactive model: Copper binding site 4 out of 4 in 3jtb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 3jtb. 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: D: Gly45, D: His46, D: Ser47, D: Cys112, D: Asn114, D: His117, D: Met121, conact list: Atom Atom Distance (A) Cu O D:Gly45 2.78 Cu C D:Gly45 3.66 Cu NE2 D:His46 4.20 Cu N D:His46 3.86 Cu CB D:His46 3.44 Cu ND1 D:His46 2.11 Cu CD2 D:His46 4.24 Cu C D:His46 4.48 Cu CE1 D:His46 3.08 Cu CG D:His46 3.11 Cu CA D:His46 3.26 Cu N D:Ser47 4.47 Cu CB D:Cys112 3.46 Cu SG D:Cys112 2.30 Cu CA D:Cys112 4.84 Cu N D:Asn114 4.92 Cu CB D:Asn114 3.96 Cu CG D:Asn114 4.88 Cu NE2 D:His117 4.32 Cu CB D:His117 3.58 Cu ND1 D:His117 2.26 Cu CD2 D:His117 4.39 Cu CE1 D:His117 3.17 Cu CG D:His117 3.28 Cu CE D:Met121 3.39 Cu CG D:Met121 4.84 Cu SD D:Met121 3.23 interactive model: