Binding information for 1mnc_ligand_3_80.mol2(FDBF00231)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mnc_ligand_3_80.mol2 | 1mnc | 1 | -6.03 | C[C@@H](C(=O)NC)NC=O | 9 |
Structure and binding mode of 1mnc_ligand_3_80.mol2(FDBF00231)
Important binding residues for 1mnc_ligand_3_80.mol2(FDBF00231)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mnc | GLY179 | -0.03 | -3.12 | -3.15 | 1.90 | -1.25 |
| 1mnc | ILE180 | -1.24 | -1.98 | -3.22 | 0.60 | -2.62 |
| 1mnc | LEU181 | -1.32 | -2.87 | -4.19 | 1.18 | -3.01 |
| 1mnc | PRO238 | -0.38 | -3.42 | -3.8 | 2.68 | -1.13 |
| 1mnc | ASN239 | -1.22 | -2.62 | -3.84 | 2.33 | -1.51 |
| 1mnc | TYR240 | -0.87 | -2.33 | -3.2 | 0.80 | -2.39 |
