Binding information for 2xn5_ligand_1_3.mol2(FDBF01929)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xn5_ligand_1_3.mol2 | 2xn5 | 0.525 | -6.13 | Cc1ccco1 | 6 |
Structure and binding mode of 2xn5_ligand_1_3.mol2(FDBF01929)
Important binding residues for 2xn5_ligand_1_3.mol2(FDBF01929)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xn5 | LEU246 | -0.65 | -0.75 | -1.4 | 0.88 | -0.52 |
| 2xn5 | LEU248 | -0.55 | 0.02 | -0.53 | 0.03 | -0.51 |
| 2xn5 | LEU269 | -0.66 | -0.14 | -0.8 | 0.45 | -0.35 |
| 2xn5 | TRP272 | -0.52 | 0.10 | -0.42 | -0.11 | -0.53 |
| 2xn5 | ASN273 | -1.32 | 0.25 | -1.07 | 0.28 | -0.79 |
| 2xn5 | LEU276 | -0.50 | 0.07 | -0.43 | 0.01 | -0.42 |
| 2xn5 | LEU376 | -1.04 | -0.05 | -1.09 | -0.07 | -1.17 |
