Binding information for 1m0b_ligand_4_681.mol2(FDBF02928)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1m0b_ligand_4_681.mol2 | 1m0b | 1 | -6.57 | C(c1ccccc1)[C@H](NC(=O)O)C | 13 |
Structure and binding mode of 1m0b_ligand_4_681.mol2(FDBF02928)
Important binding residues for 1m0b_ligand_4_681.mol2(FDBF02928)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1m0b | LEU23 | -0.60 | -13.78 | -14.38 | 13.82 | -0.56 |
| 1m0b | GLY27 | -0.09 | -0.05 | -0.14 | -0.25 | -0.40 |
| 1m0b | ILE50 | -0.45 | -2.93 | -3.38 | 2.68 | -0.71 |
| 1m0b | PRO81 | -0.57 | -1.31 | -1.88 | 1.19 | -0.69 |
| 1m0b | VAL82 | -0.86 | 0.20 | -0.66 | -0.19 | -0.86 |
| 1m0b | ILE84 | -0.67 | -0.51 | -1.18 | 0.36 | -0.81 |
| 1m0b | ALA128 | -1.31 | -3.29 | -4.6 | 2.76 | -1.85 |
| 1m0b | ILE147 | -0.11 | -19.36 | -19.47 | 19.13 | -0.33 |
| 1m0b | GLY149 | -1.03 | -3.28 | -4.31 | 2.94 | -1.36 |
| 1m0b | ILE150 | -0.92 | 0.71 | -0.21 | -0.63 | -0.84 |
| 1m0b | ILE184 | -0.22 | -0.64 | -0.86 | 0.51 | -0.35 |
