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 |
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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:
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