Binding information for 1elb_ligand_4_701.mol2(FDBF01734)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1elb_ligand_4_701.mol2 | 1elb | 0.754386 | -6.61 | c1(ccccc1)NC(=O)[C@H](C)NC=O | 14 |
Structure and binding mode of 1elb_ligand_4_701.mol2(FDBF01734)
Important binding residues for 1elb_ligand_4_701.mol2(FDBF01734)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1elb | VAL103 | -0.30 | -0.10 | -0.4 | 0.02 | -0.38 |
| 1elb | SER225 | -0.60 | 0.50 | -0.1 | -0.61 | -0.71 |
| 1elb | CYS229 | -0.17 | 0.53 | 0.36 | -0.79 | -0.43 |
