Binding information for 3c2u_ligand_1_3.mol2(FDBF00041)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3c2u_ligand_1_3.mol2 | 3c2u | 1 | -5.72 | CCO | 3 |
Structure and binding mode of 3c2u_ligand_1_3.mol2(FDBF00041)
Important binding residues for 3c2u_ligand_1_3.mol2(FDBF00041)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3c2u | TRP73 | -0.79 | -0.58 | -1.37 | 0.19 | -1.18 |
| 3c2u | ALA74 | -0.52 | -0.80 | -1.32 | -0.18 | -1.50 |
| 3c2u | PHE126 | -0.37 | 0.31 | -0.06 | -0.47 | -0.53 |
