Copper in the structure of X-Ray Crystal Structure Of the Two Site-Specific Mutants HIS35GLN and HIS35LEU of Azurin From Pseudomonas Aeruginosa (pdb 3azu)

The binding sites of Copper atom in the structure of X-Ray Crystal Structure Of the Two Site-Specific Mutants HIS35GLN and HIS35LEU of Azurin From Pseudomonas Aeruginosa (pdb code 3azu). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 3azu structure was solved by A.MESSERSCHMIDT, H.NAR, R.HUBER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 2.1 Space group P212121 a (A) 109.740 b (A) 99.150 c (A) 47.820 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 16.3 Rfree (%) n/a Copper Binding Sites: Copper binding site 1 out of 4 in 3azu Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 3azu. 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: Cys112, A: Phe114, A: His117, A: Met121, conact list: Atom Atom Distance (A) Cu O A:Met44 4.87 Cu O A:Gly45 3.05 Cu C A:Gly45 3.94 Cu NE2 A:His46 4.02 Cu N A:His46 4.14 Cu CB A:His46 3.44 Cu ND1 A:His46 2.01 Cu CD2 A:His46 4.11 Cu C A:His46 4.68 Cu CE1 A:His46 2.92 Cu CG A:His46 2.99 Cu CA A:His46 3.45 Cu N A:Asn47 4.76 Cu CB A:Cys112 3.25 Cu SG A:Cys112 2.05 Cu CA A:Cys112 4.62 Cu N A:Phe114 5.00 Cu CB A:Phe114 4.08 Cu CG A:Phe114 4.90 Cu NE2 A:His117 4.16 Cu CB A:His117 3.32 Cu ND1 A:His117 2.06 Cu CD2 A:His117 4.22 Cu CE1 A:His117 3.07 Cu CG A:His117 3.03 Cu CA A:His117 4.79 Cu CB A:Met121 4.99 Cu CE A:Met121 3.96 Cu CG A:Met121 4.50 Cu SD A:Met121 2.97 interactive model: Copper binding site 2 out of 4 in 3azu Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 3azu. 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 4.87 Cu O B:Gly45 3.11 Cu C B:Gly45 3.87 Cu NE2 B:His46 4.15 Cu N B:His46 3.98 Cu CB B:His46 3.41 Cu ND1 B:His46 2.05 Cu CD2 B:His46 4.22 Cu C B:His46 4.40 Cu CE1 B:His46 3.03 Cu CG B:His46 3.04 Cu CA B:His46 3.25 Cu N B:Asn47 4.51 Cu CB B:Cys112 3.22 Cu SG B:Cys112 2.04 Cu C B:Cys112 4.96 Cu CA B:Cys112 4.59 Cu N B:Phe114 4.98 Cu CB B:Phe114 4.00 Cu CG B:Phe114 4.73 Cu NE2 B:His117 4.14 Cu CB B:His117 3.40 Cu ND1 B:His117 2.05 Cu CD2 B:His117 4.21 Cu CE1 B:His117 3.02 Cu CG B:His117 3.04 Cu CA B:His117 4.89 Cu CE B:Met121 4.12 Cu CG B:Met121 4.72 Cu SD B:Met121 3.22 interactive model: Copper binding site 3 out of 4 in 3azu Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 3azu. 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: Asn47, C: Cys112, C: Phe114, C: His117, C: Met121, conact list: Atom Atom Distance (A) Cu O C:Gly45 3.04 Cu C C:Gly45 3.86 Cu NE2 C:His46 4.14 Cu N C:His46 4.05 Cu CB C:His46 3.43 Cu ND1 C:His46 2.04 Cu CD2 C:His46 4.21 Cu C C:His46 4.53 Cu CE1 C:His46 3.02 Cu CG C:His46 3.04 Cu CA C:His46 3.36 Cu N C:Asn47 4.62 Cu CB C:Cys112 3.17 Cu SG C:Cys112 2.09 Cu C C:Cys112 4.93 Cu CA C:Cys112 4.53 Cu N C:Phe114 4.94 Cu CB C:Phe114 3.96 Cu CG C:Phe114 4.69 Cu NE2 C:His117 4.11 Cu CB C:His117 3.37 Cu ND1 C:His117 2.03 Cu CD2 C:His117 4.18 Cu CE1 C:His117 3.01 Cu CG C:His117 3.01 Cu CA C:His117 4.88 Cu CB C:Met121 4.88 Cu CE C:Met121 3.82 Cu CG C:Met121 4.53 Cu SD C:Met121 3.06 interactive model: Copper binding site 4 out of 4 in 3azu Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 3azu. 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: Met44, D: Gly45, D: His46, D: Asn47, D: Cys112, D: Phe114, D: His117, D: Met121, conact list: Atom Atom Distance (A) Cu O D:Met44 4.88 Cu O D:Gly45 3.15 Cu C D:Gly45 4.01 Cu NE2 D:His46 4.12 Cu N D:His46 4.13 Cu CB D:His46 3.43 Cu ND1 D:His46 2.03 Cu CD2 D:His46 4.18 Cu C D:His46 4.53 Cu CE1 D:His46 3.01 Cu CG D:His46 3.01 Cu CA D:His46 3.36 Cu N D:Asn47 4.60 Cu CB D:Cys112 3.26 Cu SG D:Cys112 2.03 Cu CA D:Cys112 4.61 Cu N D:Phe114 4.85 Cu CB D:Phe114 3.94 Cu CG D:Phe114 4.72 Cu CA D:Phe114 4.97 Cu NE2 D:His117 4.11 Cu CB D:His117 3.40 Cu ND1 D:His117 2.05 Cu CD2 D:His117 4.20 Cu CE1 D:His117 3.00 Cu CG D:His117 3.04 Cu CA D:His117 4.90 Cu CB D:Met121 4.94 Cu CE D:Met121 3.91 Cu CG D:Met121 4.51 Cu SD D:Met121 2.93 interactive model: