Binding information for 4u7v_ligand_1_10.mol2(FDBF00025)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4u7v_ligand_1_10.mol2 | 4u7v | 1 | -5.93 | C(C)(C)C[NH3+] | 5 |
Structure and binding mode of 4u7v_ligand_1_10.mol2(FDBF00025)
Important binding residues for 4u7v_ligand_1_10.mol2(FDBF00025)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4u7v | ASP29 | -0.47 | -20.00 | -20.47 | 19.95 | -0.52 |
| 4u7v | VAL32 | -0.65 | -17.27 | -17.92 | 17.27 | -0.65 |
| 4u7v | GLY48 | 1.95 | -10.20 | -8.25 | 6.23 | -2.03 |
| 4u7v | GLY49 | -0.33 | 0.18 | -0.15 | -0.57 | -0.72 |
| 4u7v | ILE84 | -0.55 | 0.19 | -0.36 | -0.15 | -0.51 |
