Binding information for 2g71_ligand_1_4.mol2(FDBF00974)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2g71_ligand_1_4.mol2 | 2g71 | 1 | -5.82 | C(F)(F)(F)C | 5 |
Structure and binding mode of 2g71_ligand_1_4.mol2(FDBF00974)
Important binding residues for 2g71_ligand_1_4.mol2(FDBF00974)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2g71 | TYR40 | -0.58 | -0.17 | -0.75 | 0.17 | -0.58 |
| 2g71 | GLY45 | -0.47 | -0.01 | -0.48 | -0.10 | -0.59 |
