Binding information for 5tln_ligand_1_4.mol2(FDBF05285)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5tln_ligand_1_4.mol2 | 5tln | 0.294118 | -5.44 | C(=C)NC=O | 5 |
Structure and binding mode of 5tln_ligand_1_4.mol2(FDBF05285)
Important binding residues for 5tln_ligand_1_4.mol2(FDBF05285)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5tln | ASN112 | -0.72 | -2.50 | -3.22 | 2.35 | -0.88 |
| 5tln | LEU202 | -0.71 | -0.27 | -0.98 | 0.10 | -0.89 |
| 5tln | ARG203 | 1.73 | -9.53 | -7.8 | 5.61 | -2.20 |
| 5tln | HIS231 | -0.89 | -0.01 | -0.9 | 0.43 | -0.47 |
