Binding information for 1zxc_ligand_frag_0.mol2(FDBF01877)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1zxc_ligand_frag_0.mol2 | 1zxc | 1 | -5.50 | CC#C | 3 |
Structure and binding mode of 1zxc_ligand_frag_0.mol2(FDBF01877)
Important binding residues for 1zxc_ligand_frag_0.mol2(FDBF01877)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1zxc | LEU348 | -0.34 | -0.04 | -0.38 | 0.05 | -0.33 |
| 1zxc | GLU398 | -0.97 | -0.35 | -1.32 | 0.81 | -0.51 |
| 1zxc | LEU401 | -1.11 | -0.32 | -1.43 | 0.13 | -1.30 |
| 1zxc | VAL402 | -0.94 | 0.04 | -0.9 | -0.03 | -0.92 |
| 1zxc | ALA439 | -0.61 | -0.37 | -0.98 | 0.09 | -0.89 |
| 1zxc | VAL440 | -1.09 | -0.28 | -1.37 | 0.94 | -0.42 |
