Binding information for 1elb_ligand_4_705.mol2(FDBF05633)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1elb_ligand_4_705.mol2 | 1elb | 0.634921 | -6.75 | c1(ccc(cc1)C(C)C)NC(=O)CC | 14 |
Structure and binding mode of 1elb_ligand_4_705.mol2(FDBF05633)
Important binding residues for 1elb_ligand_4_705.mol2(FDBF05633)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1elb | GLN200 | -0.41 | -3.71 | -4.12 | 3.49 | -0.63 |
| 1elb | SER225 | -0.60 | 0.58 | -0.02 | -0.59 | -0.61 |
