Binding information for 1mnc_ligand_5_75.mol2(FDBF00348)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mnc_ligand_5_75.mol2 | 1mnc | 1 | -6.64 | CC(C)C(=O)NCC(=O)NC | 11 |
Structure and binding mode of 1mnc_ligand_5_75.mol2(FDBF00348)
Important binding residues for 1mnc_ligand_5_75.mol2(FDBF00348)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mnc | GLY179 | 0.01 | -2.97 | -2.96 | 1.90 | -1.06 |
| 1mnc | ILE180 | -1.62 | -2.00 | -3.62 | 0.59 | -3.03 |
| 1mnc | LEU181 | -1.73 | -2.97 | -4.7 | 1.25 | -3.45 |
| 1mnc | PRO238 | -0.47 | -3.36 | -3.83 | 2.65 | -1.18 |
| 1mnc | ASN239 | -1.06 | -2.58 | -3.64 | 2.06 | -1.58 |
| 1mnc | TYR240 | -0.98 | -2.32 | -3.3 | 0.78 | -2.53 |
