Binding information for 1n8u_ligand_1_10.mol2(FDBF06815)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1n8u_ligand_1_10.mol2 | 1n8u | 0.571429 | -5.75 | CCBr | 3 |
Structure and binding mode of 1n8u_ligand_1_10.mol2(FDBF06815)
Important binding residues for 1n8u_ligand_1_10.mol2(FDBF06815)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1n8u | TYR26 | -0.92 | 0.25 | -0.67 | -0.25 | -0.92 |
| 1n8u | VAL27 | -1.01 | 0.26 | -0.75 | -0.19 | -0.95 |
| 1n8u | VAL30 | -0.58 | -0.29 | -0.87 | 0.15 | -0.72 |
| 1n8u | LEU43 | -0.28 | -0.07 | -0.35 | 0.01 | -0.34 |
| 1n8u | LEU73 | -0.47 | -0.46 | -0.93 | 0.53 | -0.40 |
| 1n8u | LEU84 | -0.68 | 0.13 | -0.55 | -0.07 | -0.62 |
