Binding information for 2hob_ligand_7_18677.mol2(FDBF00351)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2hob_ligand_7_18677.mol2 | 2hob | 1 | -6.54 | CC(C)NC(=O)[C@H](C)NC(=O)C | 12 |
Structure and binding mode of 2hob_ligand_7_18677.mol2(FDBF00351)
Important binding residues for 2hob_ligand_7_18677.mol2(FDBF00351)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2hob | HIS41 | -1.14 | -0.34 | -1.48 | 1.16 | -0.33 |
| 2hob | MET49 | -0.59 | -0.14 | -0.73 | 0.21 | -0.52 |
| 2hob | LEU141 | -0.31 | -0.21 | -0.52 | 0.16 | -0.36 |
| 2hob | SER144 | -0.64 | -0.02 | -0.66 | 0.34 | -0.33 |
| 2hob | HIS164 | -0.66 | -2.80 | -3.46 | 1.74 | -1.73 |
| 2hob | MET165 | -1.59 | -2.42 | -4.01 | 1.21 | -2.80 |
| 2hob | GLU166 | -0.12 | -0.74 | -0.86 | -0.36 | -1.22 |
| 2hob | GLN189 | -1.33 | -2.28 | -3.61 | 2.43 | -1.18 |
