Binding information for 1elb_ligand_3_275.mol2(FDBF05633)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1elb_ligand_3_275.mol2 | 1elb | 0.661017 | -6.52 | c1(ccc(cc1)C(C)C)NC(=O)C | 13 |
Structure and binding mode of 1elb_ligand_3_275.mol2(FDBF05633)
Important binding residues for 1elb_ligand_3_275.mol2(FDBF05633)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1elb | GLN200 | 0.02 | -3.53 | -3.51 | 2.98 | -0.53 |
| 1elb | SER225 | -0.58 | 0.60 | 0.02 | -0.58 | -0.56 |
