Binding information for 1tu6_ligand_frag_6.mol2(FDBF01324)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1tu6_ligand_frag_6.mol2 | 1tu6 | 1 | -5.98 | C1CCC1 | 4 |
Structure and binding mode of 1tu6_ligand_frag_6.mol2(FDBF01324)
Important binding residues for 1tu6_ligand_frag_6.mol2(FDBF01324)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1tu6 | TYR181 | -0.83 | 0.00 | -0.83 | 0.41 | -0.42 |
| 1tu6 | LEU274 | -0.68 | 0.02 | -0.66 | 0.22 | -0.44 |
| 1tu6 | ASN275 | -0.52 | -0.01 | -0.53 | 0.00 | -0.52 |
| 1tu6 | HIS276 | -0.44 | -0.00 | -0.44 | 0.05 | -0.39 |
| 1tu6 | ALA277 | -0.29 | -0.01 | -0.3 | -0.03 | -0.33 |
