Binding information for 4gtm_ligand_4_165.mol2(FDBF04053)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gtm_ligand_4_165.mol2 | 4gtm | 0.96 | -5.80 | C(NC(=O)O)CCC | 8 |
Structure and binding mode of 4gtm_ligand_4_165.mol2(FDBF04053)
Important binding residues for 4gtm_ligand_4_165.mol2(FDBF04053)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4gtm | TRP102 | 0.39 | -7.16 | -6.77 | 4.73 | -2.04 |
| 4gtm | HIS149 | -0.95 | -16.87 | -17.82 | 17.13 | -0.69 |
| 4gtm | LEU150 | -0.09 | -0.43 | -0.52 | 0.21 | -0.31 |
| 4gtm | ARG202 | -0.72 | -54.29 | -55.01 | 52.72 | -2.29 |
