Binding information for 3mpt_ligand_1_2.mol2(FDBF01618)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3mpt_ligand_1_2.mol2 | 3mpt | 1 | -5.72 | Cc1ccco1 | 6 |
Structure and binding mode of 3mpt_ligand_1_2.mol2(FDBF01618)
Important binding residues for 3mpt_ligand_1_2.mol2(FDBF01618)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3mpt | GLY110 | -0.65 | -0.11 | -0.76 | 0.45 | -0.31 |
| 3mpt | ALA111 | -1.32 | -0.92 | -2.24 | 0.68 | -1.57 |
