Binding information for 1c29_ligand_1_1.mol2(FDBF00022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1c29_ligand_1_1.mol2 | 1c29 | 1 | -5.80 | CC=C | 3 |
Structure and binding mode of 1c29_ligand_1_1.mol2(FDBF00022)
Important binding residues for 1c29_ligand_1_1.mol2(FDBF00022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1c29 | PHE22 | -0.50 | -0.01 | -0.51 | 0.05 | -0.47 |
| 1c29 | THR183 | -0.75 | -0.14 | -0.89 | 0.15 | -0.74 |
| 1c29 | PHE212 | -0.76 | -0.03 | -0.79 | 0.45 | -0.34 |
