Binding information for 1zfk_ligand.mol2(FDBF00472)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1zfk_ligand.mol2 | 1zfk | 0.449275 | -7.91 | S(=O)(=O)(N)c1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 | 25 |
Structure and binding mode of 1zfk_ligand.mol2(FDBF00472)
Important binding residues for 1zfk_ligand.mol2(FDBF00472)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1zfk | GLU1106 | -0.19 | -0.19 | -0.38 | -1.02 | -1.40 |
| 1zfk | HIS1119 | -1.16 | 2.32 | 1.16 | -5.41 | -4.25 |
| 1zfk | VAL1121 | -0.79 | 0.16 | -0.63 | -0.08 | -0.70 |
| 1zfk | VAL1143 | -0.66 | -0.29 | -0.95 | 0.23 | -0.73 |
| 1zfk | LEU1198 | -2.42 | -0.55 | -2.97 | 0.64 | -2.34 |
| 1zfk | THR1199 | -0.29 | -3.83 | -4.12 | 0.28 | -3.84 |
| 1zfk | THR1200 | -1.09 | -1.83 | -2.92 | 1.67 | -1.26 |
| 1zfk | PRO1202 | -1.20 | -0.10 | -1.3 | 0.01 | -1.29 |
| 1zfk | LEU1204 | -0.58 | -0.15 | -0.73 | 0.29 | -0.44 |
| 1zfk | TRP1209 | -0.71 | 0.51 | -0.2 | -0.53 | -0.74 |
