The binding sites of Copper atom in the structure of Crystal Structure Analysis of Oxidized Pseudomonas Aeruginosa Azurin At pH 5.5 and pH 9.0. A pH-Induced Conformational Transition Involves A Peptide Bond Flip (pdb code 5azu). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 5azu structure was solved by H.NAR, A.MESSERSCHMIDT, R.HUBER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A) | 1.9 | Space group | P212121 | a (A) | 57.760 | b (A) | 81.090 | c (A) | 109.940 | alpha (°) | 90.00 | beta (°) | 90.00 | gamma (°) | 90.00 | Rfactor (%) | n/a | Rfree (%) | n/a |
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Copper binding site 1 out of 4 in 5azu
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 5azu. 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 | 2.83 | Cu | C A:Gly45 | 3.77 | Cu | NE2 A:His46 | 4.06 | Cu | N A:His46 | 4.01 | Cu | CB A:His46 | 3.52 | Cu | ND1 A:His46 | 1.98 | Cu | CD2 A:His46 | 4.18 | Cu | C A:His46 | 4.57 | Cu | CE1 A:His46 | 2.92 | Cu | CG A:His46 | 3.04 | Cu | CA A:His46 | 3.37 | Cu | N A:Asn47 | 4.68 | Cu | CB A:Cys112 | 3.34 | Cu | SG A:Cys112 | 2.28 | Cu | CA A:Cys112 | 4.75 | Cu | N A:Phe114 | 4.85 | Cu | CB A:Phe114 | 3.86 | Cu | CG A:Phe114 | 4.72 | Cu | CA A:Phe114 | 4.97 | Cu | NE2 A:His117 | 4.13 | Cu | CB A:His117 | 3.42 | Cu | ND1 A:His117 | 2.06 | Cu | CD2 A:His117 | 4.23 | Cu | CE1 A:His117 | 3.01 | Cu | CG A:His117 | 3.07 | Cu | CA A:His117 | 4.94 | Cu | CB A:Met121 | 5.00 | Cu | CE A:Met121 | 3.99 | Cu | CG A:Met121 | 4.67 | Cu | SD A:Met121 | 3.15 |
| interactive model:
| Copper binding site 2 out of 4 in 5azu
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 5azu. 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: Phe114, B: His117, B: Met121, | conact list:
Atom | Atom | Distance (A) | Cu | O B:Gly45 | 2.87 | Cu | C B:Gly45 | 3.82 | Cu | NE2 B:His46 | 4.14 | Cu | N B:His46 | 4.05 | Cu | CB B:His46 | 3.54 | Cu | ND1 B:His46 | 2.08 | Cu | CD2 B:His46 | 4.25 | Cu | C B:His46 | 4.53 | Cu | CE1 B:His46 | 3.02 | Cu | CG B:His46 | 3.10 | Cu | CA B:His46 | 3.37 | Cu | N B:Asn47 | 4.62 | Cu | CB B:Cys112 | 3.30 | Cu | SG B:Cys112 | 2.29 | Cu | CA B:Cys112 | 4.69 | Cu | N B:Phe114 | 4.82 | Cu | CB B:Phe114 | 3.84 | Cu | CG B:Phe114 | 4.65 | Cu | CA B:Phe114 | 4.94 | Cu | NE2 B:His117 | 4.14 | Cu | CB B:His117 | 3.51 | Cu | ND1 B:His117 | 2.08 | Cu | CD2 B:His117 | 4.26 | Cu | CE1 B:His117 | 3.01 | Cu | CG B:His117 | 3.11 | Cu | CB B:Met121 | 4.96 | Cu | CE B:Met121 | 3.92 | Cu | CG B:Met121 | 4.62 | Cu | SD B:Met121 | 3.11 |
| interactive model:
| Copper binding site 3 out of 4 in 5azu
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 5azu. 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 | 2.98 | Cu | C C:Gly45 | 3.88 | Cu | NE2 C:His46 | 4.22 | Cu | N C:His46 | 4.05 | Cu | CB C:His46 | 3.46 | Cu | ND1 C:His46 | 2.12 | Cu | CD2 C:His46 | 4.28 | Cu | C C:His46 | 4.51 | Cu | CE1 C:His46 | 3.11 | Cu | CG C:His46 | 3.11 | Cu | CA C:His46 | 3.33 | Cu | N C:Asn47 | 4.62 | Cu | CB C:Cys112 | 3.24 | Cu | SG C:Cys112 | 2.20 | Cu | CA C:Cys112 | 4.66 | Cu | N C:Phe114 | 4.89 | Cu | CB C:Phe114 | 3.91 | Cu | CG C:Phe114 | 4.75 | Cu | NE2 C:His117 | 4.08 | Cu | CB C:His117 | 3.38 | Cu | ND1 C:His117 | 2.00 | Cu | CD2 C:His117 | 4.20 | Cu | CE1 C:His117 | 2.95 | Cu | CG C:His117 | 3.03 | Cu | CA C:His117 | 4.88 | Cu | CE C:Met121 | 3.85 | Cu | CG C:Met121 | 4.74 | Cu | SD C:Met121 | 3.19 |
| interactive model:
| Copper binding site 4 out of 4 in 5azu
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 5azu. 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: Asn47, D: Cys112, D: Phe114, D: His117, D: Met121, | conact list:
Atom | Atom | Distance (A) | Cu | O D:Gly45 | 3.02 | Cu | C D:Gly45 | 3.91 | Cu | NE2 D:His46 | 4.16 | Cu | N D:His46 | 4.08 | Cu | CB D:His46 | 3.48 | Cu | ND1 D:His46 | 2.07 | Cu | CD2 D:His46 | 4.25 | Cu | C D:His46 | 4.57 | Cu | CE1 D:His46 | 3.04 | Cu | CG D:His46 | 3.08 | Cu | CA D:His46 | 3.39 | Cu | N D:Asn47 | 4.63 | Cu | CB D:Cys112 | 3.32 | Cu | SG D:Cys112 | 2.25 | Cu | CA D:Cys112 | 4.68 | Cu | N D:Phe114 | 4.81 | Cu | CB D:Phe114 | 3.91 | Cu | CG D:Phe114 | 4.82 | Cu | CA D:Phe114 | 4.97 | Cu | NE2 D:His117 | 4.08 | Cu | CB D:His117 | 3.35 | Cu | ND1 D:His117 | 1.99 | Cu | CD2 D:His117 | 4.15 | Cu | CE1 D:His117 | 2.96 | Cu | CG D:His117 | 2.99 | Cu | CA D:His117 | 4.87 | Cu | CB D:Met121 | 4.92 | Cu | CE D:Met121 | 3.92 | Cu | CG D:Met121 | 4.58 | Cu | SD D:Met121 | 3.08 |
| interactive model:
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