Binding information for 1n8v_ligand_3_164.mol2(FDBF06813)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1n8v_ligand_3_164.mol2 | 1n8v | 0.428571 | -6.13 | CCCCBr | 5 |
Structure and binding mode of 1n8v_ligand_3_164.mol2(FDBF06813)
Important binding residues for 1n8v_ligand_3_164.mol2(FDBF06813)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1n8v | LEU23 | -0.77 | 0.11 | -0.66 | -0.08 | -0.74 |
| 1n8v | TYR26 | -1.56 | 0.30 | -1.26 | -0.14 | -1.40 |
| 1n8v | VAL27 | -1.19 | 0.21 | -0.98 | -0.20 | -1.18 |
| 1n8v | VAL30 | -0.54 | -0.32 | -0.86 | 0.12 | -0.74 |
| 1n8v | LEU43 | -0.64 | -0.08 | -0.72 | -0.04 | -0.76 |
| 1n8v | VAL69 | -0.82 | 0.85 | 0.03 | -0.56 | -0.53 |
| 1n8v | LEU73 | -0.40 | -0.42 | -0.82 | 0.50 | -0.33 |
| 1n8v | LEU84 | -0.73 | 0.18 | -0.55 | -0.10 | -0.65 |
