Copper in the structure of Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa At 1.8 A Resolution (pdb 1gr7)
The binding sites of Copper atom in the structure of Crystal Structure of the Double Mutant CYS3SER/SER100PRO From Pseudomonas Aeruginosa At 1.8 A Resolution (pdb code 1gr7). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1gr7 structure was solved by M.OKVIST, N.BONANDER, A.SANDBERG, B.G.KARLSSON, U.KRENGEL, Y.XUE, L.SJOLIN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A) | 72.5-1.8 | Space group | P212121 | a (A) | 47.790 | b (A) | 100.120 | c (A) | 106.370 | alpha (°) | 90.00 | beta (°) | 90.00 | gamma (°) | 90.00 | Rfactor (%) | 17.488 | Rfree (%) | 20.751 |
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Copper Binding Sites:Copper binding site 1 out of 4 in 1gr7
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1gr7. 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 | 2.36 | Cu | N A:Gly45 | 4.92 | Cu | C A:Gly45 | 3.40 | Cu | CA A:Gly45 | 4.73 | Cu | NE2 A:His46 | 3.97 | Cu | N A:His46 | 3.78 | Cu | CB A:His46 | 3.52 | Cu | ND1 A:His46 | 1.93 | Cu | CD2 A:His46 | 4.11 | Cu | C A:His46 | 4.58 | Cu | CE1 A:His46 | 2.80 | Cu | CG A:His46 | 3.05 | Cu | CA A:His46 | 3.30 | Cu | N A:Asn47 | 4.71 | Cu | CB A:Cys112 | 3.32 | Cu | SG A:Cys112 | 2.16 | Cu | CA A:Cys112 | 4.72 | Cu | N A:Phe114 | 4.85 | Cu | CB A:Phe114 | 3.80 | Cu | CG A:Phe114 | 4.61 | Cu | CA A:Phe114 | 4.93 | Cu | NE2 A:His117 | 4.06 | Cu | CB A:His117 | 3.47 | Cu | ND1 A:His117 | 1.99 | Cu | CD2 A:His117 | 4.14 | Cu | CE1 A:His117 | 2.91 | Cu | CG A:His117 | 3.05 | Cu | CA A:His117 | 4.98 | Cu | CE A:Met121 | 4.06 | Cu | CG A:Met121 | 4.81 | Cu | SD A:Met121 | 3.29 |
| interactive model:
| Copper binding site 2 out of 4 in 1gr7
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1gr7. 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 | 4.82 | Cu | C B:Met44 | 4.94 | Cu | O B:Gly45 | 2.27 | Cu | N B:Gly45 | 4.82 | Cu | C B:Gly45 | 3.30 | Cu | CA B:Gly45 | 4.63 | Cu | NE2 B:His46 | 4.05 | Cu | N B:His46 | 3.68 | Cu | CB B:His46 | 3.50 | Cu | ND1 B:His46 | 1.99 | Cu | CD2 B:His46 | 4.16 | Cu | C B:His46 | 4.51 | Cu | CE1 B:His46 | 2.89 | Cu | CG B:His46 | 3.08 | Cu | CA B:His46 | 3.24 | Cu | N B:Asn47 | 4.67 | Cu | CB B:Cys112 | 3.40 | Cu | SG B:Cys112 | 2.17 | Cu | CA B:Cys112 | 4.78 | Cu | N B:Phe114 | 4.80 | Cu | CB B:Phe114 | 3.74 | Cu | CG B:Phe114 | 4.59 | Cu | CA B:Phe114 | 4.86 | Cu | NE2 B:His117 | 4.07 | Cu | CB B:His117 | 3.47 | Cu | ND1 B:His117 | 2.00 | Cu | CD2 B:His117 | 4.15 | Cu | CE1 B:His117 | 2.92 | Cu | CG B:His117 | 3.06 | Cu | CA B:His117 | 4.96 | Cu | CE B:Met121 | 4.13 | Cu | CG B:Met121 | 4.90 | Cu | SD B:Met121 | 3.45 |
| interactive model:
| Copper binding site 3 out of 4 in 1gr7
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 1gr7. 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: Met44, C: Gly45, C: His46, C: Asn47, C: Cys112, C: Phe114, C: His117, C: Met121, | conact list:
Atom | Atom | Distance (A) | Cu | O C:Met44 | 4.96 | Cu | C C:Met44 | 4.95 | Cu | O C:Gly45 | 2.21 | Cu | N C:Gly45 | 4.77 | Cu | C C:Gly45 | 3.24 | Cu | CA C:Gly45 | 4.57 | Cu | NE2 C:His46 | 4.13 | Cu | N C:His46 | 3.64 | Cu | CB C:His46 | 3.47 | Cu | ND1 C:His46 | 2.05 | Cu | CD2 C:His46 | 4.20 | Cu | C C:His46 | 4.45 | Cu | CE1 C:His46 | 3.00 | Cu | CG C:His46 | 3.09 | Cu | CA C:His46 | 3.19 | Cu | N C:Asn47 | 4.62 | Cu | CB C:Cys112 | 3.39 | Cu | SG C:Cys112 | 2.27 | Cu | CA C:Cys112 | 4.75 | Cu | N C:Phe114 | 4.75 | Cu | CB C:Phe114 | 3.75 | Cu | CG C:Phe114 | 4.55 | Cu | CA C:Phe114 | 4.86 | Cu | NE2 C:His117 | 4.09 | Cu | CB C:His117 | 3.47 | Cu | ND1 C:His117 | 2.02 | Cu | CD2 C:His117 | 4.17 | Cu | CE1 C:His117 | 2.94 | Cu | CG C:His117 | 3.07 | Cu | CA C:His117 | 4.95 | Cu | CE C:Met121 | 4.10 | Cu | CG C:Met121 | 4.92 | Cu | SD C:Met121 | 3.43 |
| interactive model:
| Copper binding site 4 out of 4 in 1gr7
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 1gr7. 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 | 2.39 | Cu | N D:Gly45 | 4.95 | Cu | C D:Gly45 | 3.39 | Cu | CA D:Gly45 | 4.72 | Cu | NE2 D:His46 | 4.08 | Cu | N D:His46 | 3.75 | Cu | CB D:His46 | 3.47 | Cu | ND1 D:His46 | 2.00 | Cu | CD2 D:His46 | 4.16 | Cu | C D:His46 | 4.55 | Cu | CE1 D:His46 | 2.93 | Cu | CG D:His46 | 3.06 | Cu | CA D:His46 | 3.28 | Cu | N D:Asn47 | 4.66 | Cu | CB D:Cys112 | 3.34 | Cu | SG D:Cys112 | 2.26 | Cu | CA D:Cys112 | 4.72 | Cu | N D:Phe114 | 4.80 | Cu | CB D:Phe114 | 3.86 | Cu | CG D:Phe114 | 4.65 | Cu | CA D:Phe114 | 4.94 | Cu | NE2 D:His117 | 4.03 | Cu | CB D:His117 | 3.46 | Cu | ND1 D:His117 | 1.98 | Cu | CD2 D:His117 | 4.12 | Cu | CE1 D:His117 | 2.89 | Cu | CG D:His117 | 3.04 | Cu | CA D:His117 | 4.96 | Cu | CE D:Met121 | 3.97 | Cu | CG D:Met121 | 4.85 | Cu | SD D:Met121 | 3.30 |
| interactive model:
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