Binding information for 2qt9_ligand_1_4.mol2(FDBF00008)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qt9_ligand_1_4.mol2 | 2qt9 | 0.384615 | -6.57 | C([NH3+])C(=O)N1C[C@H](C=C1)F | 10 |
Structure and binding mode of 2qt9_ligand_1_4.mol2(FDBF00008)
Important binding residues for 2qt9_ligand_1_4.mol2(FDBF00008)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2qt9 | GLU205 | 1.03 | -43.40 | -42.37 | 38.03 | -4.34 |
| 2qt9 | GLU206 | 2.39 | -63.93 | -61.54 | 55.39 | -6.15 |
| 2qt9 | VAL656 | -0.46 | -13.88 | -14.34 | 13.90 | -0.45 |
| 2qt9 | TYR662 | -1.45 | 13.80 | 12.35 | -15.01 | -2.66 |
| 2qt9 | TYR666 | -1.84 | 0.28 | -1.56 | -0.52 | -2.08 |
| 2qt9 | ASN710 | -0.56 | 13.49 | 12.93 | -14.62 | -1.69 |
| 2qt9 | VAL711 | -0.56 | -16.40 | -16.96 | 16.45 | -0.50 |
