Binding information for 1rv1_ligand_1_5.mol2(FDBF01909)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1rv1_ligand_1_5.mol2 | 1rv1 | 0.454545 | -5.46 | C1[NH2+]CN(C(=O)N2CC[NH+](CC2)C)C1 | 14 |
Structure and binding mode of 1rv1_ligand_1_5.mol2(FDBF01909)
Important binding residues for 1rv1_ligand_1_5.mol2(FDBF01909)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1rv1 | GLY58 | -0.62 | 0.21 | -0.41 | -0.43 | -0.84 |
| 1rv1 | ILE61 | -0.19 | 1.15 | 0.96 | -1.29 | -0.32 |
| 1rv1 | MET62 | -1.08 | -0.22 | -1.3 | 0.04 | -1.26 |
| 1rv1 | ASP68 | -0.01 | -50.57 | -50.58 | 50.05 | -0.53 |
| 1rv1 | VAL93 | -0.87 | -0.38 | -1.25 | 0.81 | -0.44 |
| 1rv1 | GLU52 | -0.03 | -53.13 | -53.16 | 52.59 | -0.56 |
| 1rv1 | PHE55 | -0.07 | -30.02 | -30.09 | 29.79 | -0.31 |
