The binding sites of Copper atom in the structure of Structure of Ruthenium-Modified Pseudomonas Aeruginosa Azurin (pdb code 1bex). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1bex structure was solved by S.FAHAM, M.W.DAY, D.C.REES, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A) | 20.0-2.3 | Space group | C121 | a (A) | 100.600 | b (A) | 35.400 | c (A) | 74.700 | alpha (°) | 90.00 | beta (°) | 106.50 | gamma (°) | 90.00 | Rfactor (%) | 20.9 | Rfree (%) | 28.9 |
|
Copper binding site 1 out of 4 in 1bex
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1bex. 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 | 3.00 | Cu | C A:Gly45 | 3.86 | Cu | NE2 A:His46 | 4.09 | Cu | N A:His46 | 4.09 | Cu | CB A:His46 | 3.63 | Cu | ND1 A:His46 | 2.07 | Cu | CD2 A:His46 | 4.24 | Cu | C A:His46 | 4.65 | Cu | CE1 A:His46 | 2.91 | Cu | CG A:His46 | 3.19 | Cu | CA A:His46 | 3.46 | Cu | N A:Asn47 | 4.73 | Cu | CB A:Cys112 | 3.37 | Cu | SG A:Cys112 | 2.26 | Cu | CA A:Cys112 | 4.77 | Cu | N A:Phe114 | 4.88 | Cu | CB A:Phe114 | 3.87 | Cu | CG A:Phe114 | 4.70 | Cu | CA A:Phe114 | 4.99 | Cu | NE2 A:His117 | 4.14 | Cu | CB A:His117 | 3.40 | Cu | ND1 A:His117 | 2.06 | Cu | CD2 A:His117 | 4.19 | Cu | CE1 A:His117 | 3.02 | Cu | CG A:His117 | 3.07 | Cu | CA A:His117 | 4.85 | Cu | CE A:Met121 | 3.98 | Cu | CG A:Met121 | 4.48 | Cu | SD A:Met121 | 3.11 |
| interactive model:
| Copper binding site 2 out of 4 in 1bex
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1bex. 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: Ala1, A: Glu2, A: Asp23, A: Cys26, A: Hoh501, | conact list:
Atom | Atom | Distance (A) | Cu | O A:Ala1 | 2.25 | Cu | N A:Ala1 | 1.78 | Cu | C A:Ala1 | 2.77 | Cu | CB A:Ala1 | 3.92 | Cu | CA A:Ala1 | 2.77 | Cu | N A:Glu2 | 3.98 | Cu | CA A:Glu2 | 4.75 | Cu | CB A:Asp23 | 4.06 | Cu | OD2 A:Asp23 | 2.44 | Cu | OD1 A:Asp23 | 4.28 | Cu | CG A:Asp23 | 3.41 | Cu | SG A:Cys26 | 4.98 | Cu | O A:Hoh501 | 2.89 |
| interactive model:
| Copper binding site 3 out of 4 in 1bex
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 1bex. 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 | 2.97 | Cu | C B:Gly45 | 3.82 | Cu | NE2 B:His46 | 4.11 | Cu | N B:His46 | 4.02 | Cu | CB B:His46 | 3.58 | Cu | ND1 B:His46 | 2.08 | Cu | CD2 B:His46 | 4.23 | Cu | C B:His46 | 4.56 | Cu | CE1 B:His46 | 2.95 | Cu | CG B:His46 | 3.17 | Cu | CA B:His46 | 3.38 | Cu | N B:Asn47 | 4.61 | Cu | CB B:Cys112 | 3.34 | Cu | SG B:Cys112 | 2.25 | Cu | CA B:Cys112 | 4.73 | Cu | N B:Phe114 | 4.87 | Cu | CB B:Phe114 | 3.87 | Cu | CG B:Phe114 | 4.72 | Cu | CA B:Phe114 | 4.99 | Cu | NE2 B:His117 | 4.18 | Cu | CB B:His117 | 3.45 | Cu | ND1 B:His117 | 2.10 | Cu | CD2 B:His117 | 4.23 | Cu | CE1 B:His117 | 3.05 | Cu | CG B:His117 | 3.11 | Cu | CA B:His117 | 4.92 | Cu | CE B:Met121 | 3.94 | Cu | CG B:Met121 | 4.59 | Cu | SD B:Met121 | 3.10 |
| interactive model:
| Copper binding site 4 out of 4 in 1bex
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 1bex. 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: Ala1, B: Glu2, B: Asp23, B: Cys26, | conact list:
Atom | Atom | Distance (A) | Cu | O B:Ala1 | 2.27 | Cu | N B:Ala1 | 2.01 | Cu | C B:Ala1 | 2.86 | Cu | CB B:Ala1 | 4.11 | Cu | CA B:Ala1 | 2.96 | Cu | N B:Glu2 | 4.06 | Cu | C B:Glu2 | 5.00 | Cu | CA B:Glu2 | 4.76 | Cu | CB B:Asp23 | 4.09 | Cu | OD2 B:Asp23 | 2.43 | Cu | OD1 B:Asp23 | 4.24 | Cu | CG B:Asp23 | 3.40 | Cu | SG B:Cys26 | 4.90 |
| interactive model:
|
|