Binding information for 1hrn_ligand_5_2219.mol2(FDBF00336)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1hrn_ligand_5_2219.mol2 | 1hrn | 1 | -6.04 | C(NC(=O)C(C)C)CO | 9 |
Structure and binding mode of 1hrn_ligand_5_2219.mol2(FDBF00336)
Important binding residues for 1hrn_ligand_5_2219.mol2(FDBF00336)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1hrn | GLY34 | -0.44 | -0.49 | -0.93 | -0.41 | -1.35 |
| 1hrn | TYR75 | -1.02 | -0.47 | -1.49 | 0.53 | -0.96 |
| 1hrn | SER76 | -1.15 | -1.15 | -2.3 | 1.28 | -1.01 |
| 1hrn | GLY217 | -0.99 | -0.43 | -1.42 | 0.52 | -0.90 |
| 1hrn | MET289 | -0.47 | 0.08 | -0.39 | -0.05 | -0.44 |
