Binding information for 2rcw_ligand_2_5.mol2(FDBF00666)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2rcw_ligand_2_5.mol2 | 2rcw | 1 | -6.23 | C(C)C[NH+]1CCCCC1 | 9 |
Structure and binding mode of 2rcw_ligand_2_5.mol2(FDBF00666)
Important binding residues for 2rcw_ligand_2_5.mol2(FDBF00666)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2rcw | TYR228 | -2.25 | 0.50 | -1.75 | 0.14 | -1.62 |
| 2rcw | TYR235 | -0.74 | -0.82 | -1.56 | 0.92 | -0.64 |
| 2rcw | TYR246 | -0.80 | 0.84 | 0.04 | -0.38 | -0.35 |
