Binding information for 4wnp_ligand_frag_0.mol2(FDBF01324)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wnp_ligand_frag_0.mol2 | 4wnp | 1 | -6.04 | C1CCC1 | 4 |
Structure and binding mode of 4wnp_ligand_frag_0.mol2(FDBF01324)
Important binding residues for 4wnp_ligand_frag_0.mol2(FDBF01324)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4wnp | VAL30 | -0.29 | 0.01 | -0.28 | -0.07 | -0.35 |
| 4wnp | ALA44 | -0.59 | -0.01 | -0.6 | 0.00 | -0.59 |
| 4wnp | MET92 | -0.95 | 0.00 | -0.95 | -0.02 | -0.97 |
| 4wnp | LEU145 | -0.36 | 0.01 | -0.35 | -0.05 | -0.41 |
| 4wnp | ALA164 | -0.31 | 0.01 | -0.3 | -0.01 | -0.31 |
