Binding information for 1mnc_ligand_6_62.mol2(FDBF00348)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mnc_ligand_6_62.mol2 | 1mnc | 1 | -6.89 | C[C@@H](C(=O)NC)NC(=O)C(C)C | 12 |
Structure and binding mode of 1mnc_ligand_6_62.mol2(FDBF00348)
Important binding residues for 1mnc_ligand_6_62.mol2(FDBF00348)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mnc | GLY179 | -0.08 | -2.98 | -3.06 | 1.78 | -1.28 |
| 1mnc | ILE180 | -1.72 | -2.03 | -3.75 | 0.60 | -3.14 |
| 1mnc | LEU181 | -1.76 | -3.01 | -4.77 | 1.28 | -3.49 |
| 1mnc | PRO238 | -0.64 | -3.26 | -3.9 | 2.64 | -1.26 |
| 1mnc | ASN239 | -1.37 | -2.71 | -4.08 | 2.50 | -1.58 |
| 1mnc | TYR240 | -1.02 | -2.35 | -3.37 | 0.81 | -2.57 |
