Copper in the structure of Refined Crystal Structure of Ascorbate Oxidase At 1.9 Angstroms Resolution (pdb 1aoz)
The binding sites of Copper atom in the structure of Refined Crystal Structure of Ascorbate Oxidase At 1.9 Angstroms Resolution (pdb code 1aoz). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1aoz structure was solved by A.MESSERSCHMIDT, R.LADENSTEIN, R.HUBER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A) | 1.9 | Space group | P21212 | a (A) | 106.700 | b (A) | 105.100 | c (A) | 113.500 | alpha (°) | 90.00 | beta (°) | 90.00 | gamma (°) | 90.00 | Rfactor (%) | n/a | Rfree (%) | n/a |
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Copper Binding Sites:Copper binding site 1 out of 9 in 1aoz
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1aoz. 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: Thr444, A: His445, A: Cys507, A: Ile509, A: His512, A: Met517, A: Hoh893, | conact list:
Atom | Atom | Distance (A) | Cu | O A:Thr444 | 4.86 | Cu | NE2 A:His445 | 4.11 | Cu | CB A:His445 | 3.50 | Cu | ND1 A:His445 | 2.09 | Cu | CD2 A:His445 | 4.21 | Cu | CE1 A:His445 | 3.01 | Cu | CG A:His445 | 3.07 | Cu | CA A:His445 | 4.15 | Cu | CB A:Cys507 | 3.34 | Cu | SG A:Cys507 | 2.13 | Cu | CA A:Cys507 | 4.67 | Cu | N A:Ile509 | 4.92 | Cu | CB A:Ile509 | 4.16 | Cu | CD1 A:Ile509 | 4.41 | Cu | CG2 A:Ile509 | 4.81 | Cu | CG1 A:Ile509 | 4.56 | Cu | NE2 A:His512 | 4.16 | Cu | CB A:His512 | 3.36 | Cu | ND1 A:His512 | 2.05 | Cu | CD2 A:His512 | 4.22 | Cu | CE1 A:His512 | 3.05 | Cu | CG A:His512 | 3.04 | Cu | CA A:His512 | 4.88 | Cu | CB A:Met517 | 4.93 | Cu | CE A:Met517 | 3.50 | Cu | CG A:Met517 | 4.39 | Cu | SD A:Met517 | 2.90 | Cu | O A:Hoh893 | 4.77 |
| interactive model:
| Copper binding site 2 out of 9 in 1aoz
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1aoz. 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: His286, A: Pro287, B: His286, B: Pro287, A: Hoh873, A: Hoh1139, B: Hoh789, | conact list:
Atom | Atom | Distance (A) | Cu | NE2 A:His286 | 2.07 | Cu | ND1 A:His286 | 3.99 | Cu | CD2 A:His286 | 2.95 | Cu | CE1 A:His286 | 2.94 | Cu | CG A:His286 | 4.02 | Cu | O A:Pro287 | 4.28 | Cu | CD A:Pro287 | 4.70 | Cu | NE2 B:His286 | 2.03 | Cu | ND1 B:His286 | 4.02 | Cu | CD2 B:His286 | 2.95 | Cu | CE1 B:His286 | 2.93 | Cu | CG B:His286 | 4.04 | Cu | O B:Pro287 | 4.30 | Cu | O A:Hoh873 | 3.98 | Cu | O A:Hoh1139 | 3.10 | Cu | O B:Hoh789 | 4.83 |
| interactive model:
| Copper binding site 3 out of 9 in 1aoz
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 1aoz. 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: His60, A: His104, A: His106, A: His448, A: His450, A: His506, A: His508, A: C2o702, A: C1o703, A: Hoh953, | conact list:
Atom | Atom | Distance (A) | Cu | NE2 A:His60 | 4.29 | Cu | CD2 A:His60 | 4.33 | Cu | CE1 A:His60 | 4.79 | Cu | CG A:His60 | 4.89 | Cu | NE2 A:His104 | 4.55 | Cu | CE1 A:His104 | 4.27 | Cu | NE2 A:His106 | 2.16 | Cu | ND1 A:His106 | 4.22 | Cu | CD2 A:His106 | 3.10 | Cu | CE1 A:His106 | 3.10 | Cu | CG A:His106 | 4.26 | Cu | NE2 A:His448 | 4.08 | Cu | CD2 A:His448 | 3.57 | Cu | CG A:His448 | 4.83 | Cu | NE2 A:His450 | 2.06 | Cu | ND1 A:His450 | 4.05 | Cu | CD2 A:His450 | 3.07 | Cu | CE1 A:His450 | 2.91 | Cu | CG A:His450 | 4.15 | Cu | NE2 A:His506 | 2.07 | Cu | ND1 A:His506 | 4.05 | Cu | CD2 A:His506 | 3.04 | Cu | CE1 A:His506 | 2.94 | Cu | CG A:His506 | 4.12 | Cu | NE2 A:His508 | 4.65 | Cu | CD2 A:His508 | 4.66 | Cu | O1 A:C2o702 | 1.99 | Cu | CU3 A:C2o702 | 3.69 | Cu | CU2 A:C2o702 | 0.00 | Cu | CU4 A:C1o703 | 3.79 | Cu | O A:Hoh953 | 3.87 |
| interactive model:
| Copper binding site 4 out of 9 in 1aoz
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 1aoz. 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: His60, A: His62, A: Phe102, A: His104, A: His106, A: His448, A: His506, A: His508, A: C2o702, A: C1o703, A: Hoh953, | conact list:
Atom | Atom | Distance (A) | Cu | NE2 A:His60 | 4.42 | Cu | CD2 A:His60 | 4.13 | Cu | NE2 A:His62 | 3.88 | Cu | CB A:His62 | 3.67 | Cu | ND1 A:His62 | 1.98 | Cu | CD2 A:His62 | 4.05 | Cu | CE1 A:His62 | 2.79 | Cu | CG A:His62 | 3.01 | Cu | CA A:His62 | 4.72 | Cu | CE2 A:Phe102 | 4.83 | Cu | CZ A:Phe102 | 4.95 | Cu | NE2 A:His104 | 2.19 | Cu | ND1 A:His104 | 4.20 | Cu | CD2 A:His104 | 3.16 | Cu | CE1 A:His104 | 3.06 | Cu | CG A:His104 | 4.26 | Cu | NE2 A:His106 | 4.91 | Cu | NE2 A:His448 | 3.84 | Cu | ND1 A:His448 | 4.92 | Cu | CD2 A:His448 | 3.66 | Cu | CE1 A:His448 | 4.61 | Cu | CG A:His448 | 4.42 | Cu | NE2 A:His506 | 4.88 | Cu | CE1 A:His506 | 4.87 | Cu | NE2 A:His508 | 2.14 | Cu | ND1 A:His508 | 4.19 | Cu | CD2 A:His508 | 3.08 | Cu | CE1 A:His508 | 3.07 | Cu | CG A:His508 | 4.22 | Cu | O1 A:C2o702 | 2.06 | Cu | CU3 A:C2o702 | 0.00 | Cu | CU2 A:C2o702 | 3.69 | Cu | CU4 A:C1o703 | 3.66 | Cu | O A:Hoh953 | 4.37 |
| interactive model:
| Copper binding site 5 out of 9 in 1aoz
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Copper in the PDB 1aoz. 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: His60, A: Trp61, A: His62, A: Gly63, A: His104, A: His448, A: Leu449, A: His450, A: C2o702, A: C1o703, A: Hoh894, A: Hoh1026, | conact list:
Atom | Atom | Distance (A) | Cu | NE2 A:His60 | 2.00 | Cu | ND1 A:His60 | 3.94 | Cu | CD2 A:His60 | 2.94 | Cu | CE1 A:His60 | 2.85 | Cu | CG A:His60 | 4.00 | Cu | C A:Trp61 | 4.87 | Cu | O A:Trp61 | 4.54 | Cu | NE2 A:His62 | 4.49 | Cu | N A:His62 | 4.54 | Cu | CB A:His62 | 3.88 | Cu | ND1 A:His62 | 3.86 | Cu | CD2 A:His62 | 4.10 | Cu | C A:His62 | 4.42 | Cu | CE1 A:His62 | 4.37 | Cu | CG A:His62 | 3.63 | Cu | CA A:His62 | 3.60 | Cu | N A:Gly63 | 4.13 | Cu | NE2 A:His104 | 4.73 | Cu | NE2 A:His448 | 2.09 | Cu | ND1 A:His448 | 4.10 | Cu | CD2 A:His448 | 3.03 | Cu | CE1 A:His448 | 2.99 | Cu | CG A:His448 | 4.13 | Cu | O A:Leu449 | 4.95 | Cu | NE2 A:His450 | 3.49 | Cu | CB A:His450 | 4.71 | Cu | ND1 A:His450 | 4.13 | Cu | CD2 A:His450 | 3.44 | Cu | CE1 A:His450 | 3.92 | Cu | CG A:His450 | 3.87 | Cu | CA A:His450 | 4.65 | Cu | O1 A:C2o702 | 4.08 | Cu | CU3 A:C2o702 | 3.66 | Cu | CU2 A:C2o702 | 3.79 | Cu | CU4 A:C1o703 | 0.00 | Cu | O3 A:C1o703 | 2.02 | Cu | O A:Hoh894 | 4.71 | Cu | O A:Hoh1026 | 4.35 |
| interactive model:
| Copper binding site 6 out of 9 in 1aoz
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Copper in the PDB 1aoz. 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: Thr444, B: His445, B: Cys507, B: Ile509, B: His512, B: Met517, B: Hoh810, | conact list:
Atom | Atom | Distance (A) | Cu | O B:Thr444 | 4.88 | Cu | NE2 B:His445 | 4.15 | Cu | CB B:His445 | 3.56 | Cu | ND1 B:His445 | 2.12 | Cu | CD2 B:His445 | 4.26 | Cu | CE1 B:His445 | 3.04 | Cu | CG B:His445 | 3.11 | Cu | CA B:His445 | 4.16 | Cu | CB B:Cys507 | 3.29 | Cu | SG B:Cys507 | 2.03 | Cu | CA B:Cys507 | 4.58 | Cu | CB B:Ile509 | 4.28 | Cu | CD1 B:Ile509 | 4.30 | Cu | CG1 B:Ile509 | 4.55 | Cu | NE2 B:His512 | 4.17 | Cu | CB B:His512 | 3.44 | Cu | ND1 B:His512 | 2.11 | Cu | CD2 B:His512 | 4.26 | Cu | CE1 B:His512 | 3.05 | Cu | CG B:His512 | 3.10 | Cu | CA B:His512 | 4.98 | Cu | CB B:Met517 | 4.98 | Cu | CE B:Met517 | 3.58 | Cu | CG B:Met517 | 4.42 | Cu | SD B:Met517 | 2.83 | Cu | O B:Hoh810 | 4.54 |
| interactive model:
| Copper binding site 7 out of 9 in 1aoz
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Copper in the PDB 1aoz. 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: His60, B: His104, B: His106, B: His448, B: His450, B: His506, B: His508, B: C2o702, B: C1o703, B: Hoh870, | conact list:
Atom | Atom | Distance (A) | Cu | NE2 B:His60 | 4.41 | Cu | CD2 B:His60 | 4.38 | Cu | CE1 B:His60 | 5.00 | Cu | CG B:His60 | 4.99 | Cu | NE2 B:His104 | 4.68 | Cu | CE1 B:His104 | 4.42 | Cu | NE2 B:His106 | 2.17 | Cu | ND1 B:His106 | 4.24 | Cu | CD2 B:His106 | 3.09 | Cu | CE1 B:His106 | 3.12 | Cu | CG B:His106 | 4.25 | Cu | NE2 B:His448 | 4.20 | Cu | CD2 B:His448 | 3.61 | Cu | CG B:His448 | 4.81 | Cu | NE2 B:His450 | 2.09 | Cu | ND1 B:His450 | 4.04 | Cu | CD2 B:His450 | 3.09 | Cu | CE1 B:His450 | 2.90 | Cu | CG B:His450 | 4.15 | Cu | NE2 B:His506 | 2.09 | Cu | ND1 B:His506 | 4.08 | Cu | CD2 B:His506 | 3.04 | Cu | CE1 B:His506 | 2.97 | Cu | CG B:His506 | 4.14 | Cu | NE2 B:His508 | 4.74 | Cu | CD2 B:His508 | 4.68 | Cu | O1 B:C2o702 | 2.00 | Cu | CU3 B:C2o702 | 3.74 | Cu | CU2 B:C2o702 | 0.00 | Cu | CU4 B:C1o703 | 3.91 | Cu | O B:Hoh870 | 3.70 |
| interactive model:
| Copper binding site 8 out of 9 in 1aoz
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Copper in the PDB 1aoz. 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: His60, B: His62, B: Phe102, B: His104, B: His106, B: His448, B: His506, B: His508, B: C2o702, B: C1o703, B: Hoh870, | conact list:
Atom | Atom | Distance (A) | Cu | NE2 B:His60 | 4.53 | Cu | CD2 B:His60 | 4.25 | Cu | NE2 B:His62 | 4.15 | Cu | CB B:His62 | 3.85 | Cu | ND1 B:His62 | 2.13 | Cu | CD2 B:His62 | 4.33 | Cu | CE1 B:His62 | 2.96 | Cu | CG B:His62 | 3.24 | Cu | CA B:His62 | 4.91 | Cu | CE2 B:Phe102 | 4.75 | Cu | NE2 B:His104 | 2.14 | Cu | ND1 B:His104 | 4.14 | Cu | CD2 B:His104 | 3.12 | Cu | CE1 B:His104 | 3.01 | Cu | CG B:His104 | 4.21 | Cu | NE2 B:His106 | 4.84 | Cu | CD2 B:His106 | 4.89 | Cu | NE2 B:His448 | 3.96 | Cu | ND1 B:His448 | 4.94 | Cu | CD2 B:His448 | 3.79 | Cu | CE1 B:His448 | 4.67 | Cu | CG B:His448 | 4.46 | Cu | NE2 B:His506 | 4.83 | Cu | CE1 B:His506 | 4.82 | Cu | NE2 B:His508 | 2.08 | Cu | ND1 B:His508 | 4.13 | Cu | CD2 B:His508 | 2.99 | Cu | CE1 B:His508 | 3.03 | Cu | CG B:His508 | 4.14 | Cu | O1 B:C2o702 | 1.99 | Cu | CU3 B:C2o702 | 0.00 | Cu | CU2 B:C2o702 | 3.74 | Cu | CU4 B:C1o703 | 3.69 | Cu | O B:Hoh870 | 4.05 |
| interactive model:
| Copper binding site 9 out of 9 in 1aoz
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 9 of Copper in the PDB 1aoz. 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: His60, B: Trp61, B: His62, B: Gly63, B: His104, B: His448, B: His450, B: C2o702, B: C1o703, B: Hoh811, | conact list:
Atom | Atom | Distance (A) | Cu | NE2 B:His60 | 2.02 | Cu | ND1 B:His60 | 3.98 | Cu | CD2 B:His60 | 2.93 | Cu | CE1 B:His60 | 2.91 | Cu | CG B:His60 | 4.02 | Cu | C B:Trp61 | 4.92 | Cu | O B:Trp61 | 4.69 | Cu | NE2 B:His62 | 4.67 | Cu | N B:His62 | 4.52 | Cu | CB B:His62 | 3.83 | Cu | ND1 B:His62 | 3.60 | Cu | CD2 B:His62 | 4.37 | Cu | C B:His62 | 4.41 | Cu | CE1 B:His62 | 4.25 | Cu | CG B:His62 | 3.64 | Cu | CA B:His62 | 3.58 | Cu | N B:Gly63 | 4.10 | Cu | NE2 B:His104 | 4.76 | Cu | NE2 B:His448 | 2.05 | Cu | ND1 B:His448 | 4.04 | Cu | CD2 B:His448 | 2.96 | Cu | CE1 B:His448 | 2.96 | Cu | CG B:His448 | 4.06 | Cu | NE2 B:His450 | 3.61 | Cu | CB B:His450 | 4.80 | Cu | ND1 B:His450 | 3.94 | Cu | CD2 B:His450 | 3.68 | Cu | CE1 B:His450 | 3.78 | Cu | CG B:His450 | 3.89 | Cu | CA B:His450 | 4.79 | Cu | O1 B:C2o702 | 4.00 | Cu | CU3 B:C2o702 | 3.69 | Cu | CU2 B:C2o702 | 3.91 | Cu | CU4 B:C1o703 | 0.00 | Cu | O3 B:C1o703 | 2.03 | Cu | O B:Hoh811 | 4.47 |
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