Binding information for 2xln_ligand_3_2.mol2(FDBF07586)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xln_ligand_3_2.mol2 | 2xln | 0.859649 | -6.32 | O(C)c1c(C(=O)NCC)cccc1 | 13 |
Structure and binding mode of 2xln_ligand_3_2.mol2(FDBF07586)
Important binding residues for 2xln_ligand_3_2.mol2(FDBF07586)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xln | TYR147 | -1.39 | -0.42 | -1.81 | 0.43 | -1.38 |
| 2xln | ASN300 | -1.09 | 0.13 | -0.96 | 0.56 | -0.41 |
| 2xln | SER347 | -0.46 | -0.30 | -0.76 | 0.11 | -0.65 |
| 2xln | LEU349 | -0.85 | -0.28 | -1.13 | 0.25 | -0.88 |
| 2xln | THR413 | -1.73 | -0.52 | -2.25 | 1.13 | -1.12 |
| 2xln | MET414 | -0.58 | 0.18 | -0.4 | -0.08 | -0.48 |
