|
intramolecular hydrogen bonds of the docked poses of 9i, 10i and 21 with the involved residues of the DNA binding region of NF-kappaB (see Figure 5 for ligand atom labels). The interatomic distances in Angstroms are shown. |
||
| Residue interaction |
Ligand atom |
Distance (Å) |
|
|
||
| (His141) -Nε-H::O |
O5 (9i) |
2.12 |
| O8 (10i) |
1.88 |
|
| O2' (21) |
1.90 |
|
|
|
||
| (Asp239) -COO::H |
H5 (9i) |
1.91 |
| H8 (10i) |
2.09 |
|
| H2' (21) |
2.00 |
|
|
|
||
| (Lys241) -CO::H |
H7 (10i) |
1.96 |
|
|
||
| (Lys241) -N+-H::O |
O7 (9i) |
2.60 |
| O1a (21) |
2.17 |
|
|
|
||
| (Leu207) -N-H::O |
O1 (10i) |
2.18 |
Piccagli et al. BMC Structural Biology 2008 8:38 doi:10.1186/1472-6807-8-38 |
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