Binding information for 4tww_ligand_1_2.mol2(FDBF00051)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4tww_ligand_1_2.mol2 | 4tww | 1 | -6.00 | Cc1[nH+]c[nH]c1 | 6 |
Structure and binding mode of 4tww_ligand_1_2.mol2(FDBF00051)
Important binding residues for 4tww_ligand_1_2.mol2(FDBF00051)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4tww | PHE140 | -1.08 | 0.30 | -0.78 | -0.21 | -0.99 |
| 4tww | LEU141 | -1.29 | -1.29 | -2.58 | 0.91 | -1.67 |
| 4tww | ASN142 | -1.17 | -0.07 | -1.24 | 0.74 | -0.50 |
| 4tww | SER144 | -0.79 | -1.11 | -1.9 | 0.78 | -1.13 |
| 4tww | MET165 | -0.54 | -0.50 | -1.04 | 0.47 | -0.57 |
| 4tww | GLU166 | -1.14 | 1.20 | 0.06 | -0.54 | -0.48 |
| 4tww | HIS172 | -0.39 | -0.40 | -0.79 | 0.29 | -0.50 |
