Binding information for 2rfn_ligand_1_8.mol2(FDBF02454)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2rfn_ligand_1_8.mol2 | 2rfn | 0.840909 | -7.17 | O(C)c1cc2c(cc1)nccc2 | 12 |
Structure and binding mode of 2rfn_ligand_1_8.mol2(FDBF02454)
Important binding residues for 2rfn_ligand_1_8.mol2(FDBF02454)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2rfn | VAL1092 | -0.76 | -0.05 | -0.81 | -0.10 | -0.91 |
| 2rfn | ALA1108 | -0.76 | -0.17 | -0.93 | 0.09 | -0.84 |
| 2rfn | LEU1157 | -0.74 | 0.37 | -0.37 | -0.20 | -0.56 |
| 2rfn | TYR1159 | -1.37 | -1.13 | -2.5 | 0.58 | -1.92 |
| 2rfn | MET1160 | -1.14 | -2.42 | -3.56 | 1.56 | -2.00 |
| 2rfn | GLY1163 | -0.69 | -0.40 | -1.09 | 0.06 | -1.04 |
| 2rfn | MET1211 | -1.06 | -0.78 | -1.84 | 0.52 | -1.32 |
