Table 2.
Metal coordination spheres
| Nicked bottom strand complex | Nicked top strand complex | Uncleaved DNA complexa | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Residue | Atom | Distance (Å) | Residue | Atom | Distance (Å) | Residue | Atom | Distance (Å) | |
| Metal 1 | D44 | OD2 | 2.2 | D44 | OD2 | 2.4 | D44 | OD2 | 2.3 |
| D144 | O | 2.4 | D144 | O | 2.3 | D144 | O | 2.4 | |
| A(+2) | O2P | 2.2 | A(+2) | O2P | 2.3 | A(+2) | O2P | 2.4 | |
| C(−3) | O1P | 2.4 | C(−3) | O1P | 2.5 | C(−3) | O2P | 2.4 | |
| C(−3) | O2P | 2.6 | W28 | O | 2.4 | W25 | O | 2.5 | |
| W77 | O | 2.3 | W35 | O | 2.2 | ||||
| Metal 2 | C(+3) | O2P | 2.2 | T(−2) | O2P | 2.4 | C(+3) | O2P | 2.3 |
| T(−2) | O2P | 2.3 | C(+3) | O3P | 2.3 | T(−2) | O2P | 2.3 | |
| W10 | O | 2.4 | W12 | O | 2.7 | W26 | O | 2.3 | |
| W17 | O | 2.3 | W32 | O | 2.0 | W89 | O | 2.3 | |
| W20 | O | 2.6 | W33 | O | 2.2 | W94 | O | 2.3 | |
| W36 | O | 2.3 | W160 | O | 2.4 | ||||
| Metal 3 | D44 | OD1 | 2.1 | D44 | OD1 | 2.4 | D44 | OD1 | 2.5 |
| D145 | OD1 | 2.3 | D145 | OD1 | 2.1 | D145 | OD1 | 2.2 | |
| C(+3) | O1P | 2.4 | C(+3) | O2P | 1.9 | G43 | O | 2.4 | |
| C(−3) | O2P | 2.0 | C(−3) | O1P | 2.2 | C(+3) | O1P | 2.3 | |
| W90 | O | 2.2 | C(−3) | O1P | 2.5 | ||||
| W78 | O | 2.2 | |||||||
| Metal 4 | D145 | OD2 | 2.4 | ||||||
| G43 | O | 2.3 | |||||||
| C(+3) | O1P | 2.4 | |||||||
| W18 | O | 2.5 | |||||||
| W37 | O | 2.2 | |||||||
| W60 | O | 2.4 | |||||||
aData from PDB 1R7M.