Binding information for 1elb_ligand_1_0.mol2(FDBF00844)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1elb_ligand_1_0.mol2 | 1elb | 1 | -5.29 | C(=O)(N)C(F)(F)F | 7 |
Structure and binding mode of 1elb_ligand_1_0.mol2(FDBF00844)
Important binding residues for 1elb_ligand_1_0.mol2(FDBF00844)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1elb | GLN200 | -0.72 | -0.54 | -1.26 | 0.96 | -0.31 |
| 1elb | SER203 | -0.60 | -0.13 | -0.73 | -0.26 | -0.99 |
