Binding information for 5cqj_ligand_frag_1.mol2(FDBF00640)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5cqj_ligand_frag_1.mol2 | 5cqj | 0.571429 | -5.44 | CCCl | 3 |
Structure and binding mode of 5cqj_ligand_frag_1.mol2(FDBF00640)
Important binding residues for 5cqj_ligand_frag_1.mol2(FDBF00640)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5cqj | ALA47 | -0.28 | 0.06 | -0.22 | -0.10 | -0.32 |
| 5cqj | VAL50 | -0.58 | 0.11 | -0.47 | -0.20 | -0.66 |
| 5cqj | ALA92 | -0.40 | 0.15 | -0.25 | -0.23 | -0.48 |
| 5cqj | ILE141 | -0.49 | -0.17 | -0.66 | 0.07 | -0.59 |
