Binding information for 2xn5_ligand_frag_4.mol2(FDBF01001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xn5_ligand_frag_4.mol2 | 2xn5 | 1 | -5.78 | c1ccco1 | 5 |
Structure and binding mode of 2xn5_ligand_frag_4.mol2(FDBF01001)
Important binding residues for 2xn5_ligand_frag_4.mol2(FDBF01001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xn5 | LEU246 | -0.58 | -0.68 | -1.26 | 0.75 | -0.51 |
| 2xn5 | LEU248 | -0.53 | -0.07 | -0.6 | 0.11 | -0.49 |
| 2xn5 | TRP272 | -0.50 | 0.12 | -0.38 | -0.13 | -0.52 |
| 2xn5 | ASN273 | -1.04 | 0.27 | -0.77 | -0.06 | -0.83 |
| 2xn5 | LEU276 | -0.49 | -0.02 | -0.51 | 0.09 | -0.42 |
| 2xn5 | LEU376 | -0.77 | -0.05 | -0.82 | -0.08 | -0.90 |
