Binding information for 4tn4_ligand_frag_3.mol2(FDBF01324)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4tn4_ligand_frag_3.mol2 | 4tn4 | 1 | -5.63 | C1CCC1 | 4 |
Structure and binding mode of 4tn4_ligand_frag_3.mol2(FDBF01324)
Important binding residues for 4tn4_ligand_frag_3.mol2(FDBF01324)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4tn4 | THR183 | -0.41 | 0.01 | -0.4 | 0.04 | -0.36 |
| 4tn4 | SER184 | -0.25 | 0.00 | -0.25 | -0.07 | -0.32 |
