The binding sites of Copper atom in the structure of C112D/M121E Pseudomonas Aeruginosa Azurin (pdb code 3np3). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 3np3 structure was solved by K.M.LANCASTER, H.B.GRAY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A) | 19.3-2.1 | Space group | C2221 | a (A) | 48.860 | b (A) | 54.240 | c (A) | 94.230 | alpha (°) | 90.00 | beta (°) | 90.00 | gamma (°) | 90.00 | Rfactor (%) | 21.4 | Rfree (%) | 26.5 |
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Copper binding site 1 out of 2 in 3np3
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 3np3. 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: Asp112, A: Phe114, A: His117, A: Glu121, | conact list:
Atom | Atom | Distance (A) | Cu | O A:Met44 | 4.92 | Cu | O A:Gly45 | 2.62 | Cu | C A:Gly45 | 3.55 | Cu | CA A:Gly45 | 4.90 | Cu | NE2 A:His46 | 4.04 | Cu | N A:His46 | 3.81 | Cu | CB A:His46 | 3.42 | Cu | ND1 A:His46 | 1.96 | Cu | CD2 A:His46 | 4.11 | Cu | C A:His46 | 4.54 | Cu | CE1 A:His46 | 2.91 | Cu | CG A:His46 | 3.01 | Cu | CA A:His46 | 3.26 | Cu | N A:Asn47 | 4.71 | Cu | CB A:Asp112 | 3.91 | Cu | OD2 A:Asp112 | 1.73 | Cu | OD1 A:Asp112 | 3.25 | Cu | CG A:Asp112 | 2.73 | Cu | CB A:Phe114 | 3.81 | Cu | CD2 A:Phe114 | 4.94 | Cu | CG A:Phe114 | 4.55 | Cu | CA A:Phe114 | 4.95 | Cu | NE2 A:His117 | 4.15 | Cu | CB A:His117 | 3.27 | Cu | ND1 A:His117 | 2.06 | Cu | CD2 A:His117 | 4.14 | Cu | CE1 A:His117 | 3.07 | Cu | CG A:His117 | 2.99 | Cu | CA A:His117 | 4.81 | Cu | OE1 A:Glu121 | 2.67 | Cu | OE2 A:Glu121 | 3.94 | Cu | CD A:Glu121 | 3.67 |
| interactive model:
| Copper binding site 2 out of 2 in 3np3
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 3np3. 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: Cys3, A: Ser25, A: Trs131, A: Hoh152, | conact list:
Atom | Atom | Distance (A) | Cu | O A:Ala1 | 2.35 | Cu | N A:Ala1 | 1.74 | Cu | C A:Ala1 | 3.02 | Cu | CB A:Ala1 | 3.67 | Cu | CA A:Ala1 | 2.97 | Cu | N A:Glu2 | 4.31 | Cu | SG A:Cys3 | 4.37 | Cu | OG A:Ser25 | 4.35 | Cu | N A:Trs131 | 2.04 | Cu | C1 A:Trs131 | 3.05 | Cu | O1 A:Trs131 | 2.49 | Cu | C3 A:Trs131 | 3.65 | Cu | C A:Trs131 | 2.95 | Cu | O3 A:Trs131 | 4.40 | Cu | C2 A:Trs131 | 4.19 | Cu | O A:Hoh152 | 4.33 |
| interactive model:
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