Binding information for 2gmv_ligand_2_8.mol2(FDBF07599)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2gmv_ligand_2_8.mol2 | 2gmv | 1 | -6.07 | O[S](O)Nc1ccc(cc1)C | 11 |
Structure and binding mode of 2gmv_ligand_2_8.mol2(FDBF07599)
Important binding residues for 2gmv_ligand_2_8.mol2(FDBF07599)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2gmv | PHE517 | -0.44 | 0.03 | -0.41 | 0.03 | -0.38 |
| 2gmv | PHE525 | -1.59 | -0.26 | -1.85 | 0.26 | -1.59 |
| 2gmv | PRO528 | -0.82 | -1.65 | -2.47 | 2.13 | -0.35 |
| 2gmv | PHE530 | -1.07 | 0.18 | -0.89 | -0.24 | -1.13 |
