Binding information for 4rz1_ligand_4_277.mol2(FDBF01193)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4rz1_ligand_4_277.mol2 | 4rz1 | 0.604651 | -7.28 | C(C)(C)NC(=O)c1cccc(c1)OC | 14 |
Structure and binding mode of 4rz1_ligand_4_277.mol2(FDBF01193)
Important binding residues for 4rz1_ligand_4_277.mol2(FDBF01193)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4rz1 | GLN13 | -0.91 | 0.07 | -0.84 | 0.15 | -0.68 |
| 4rz1 | VAL30 | -0.84 | 0.15 | -0.69 | -0.22 | -0.91 |
| 4rz1 | TYR75 | -1.15 | -0.60 | -1.75 | 0.83 | -0.92 |
| 4rz1 | PRO111 | -0.60 | 0.01 | -0.59 | 0.18 | -0.41 |
| 4rz1 | PHE112 | -0.68 | -0.08 | -0.76 | 0.22 | -0.54 |
| 4rz1 | ALA115 | -0.24 | 0.01 | -0.23 | -0.09 | -0.33 |
| 4rz1 | PHE117 | -1.76 | -0.32 | -2.08 | 0.52 | -1.56 |
| 4rz1 | VAL120 | -0.49 | 0.13 | -0.36 | -0.15 | -0.51 |
