Binding information for 3c2u_ligand_1_4.mol2(FDBF00041)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3c2u_ligand_1_4.mol2 | 3c2u | 1 | -5.81 | CCO | 3 |
Structure and binding mode of 3c2u_ligand_1_4.mol2(FDBF00041)
Important binding residues for 3c2u_ligand_1_4.mol2(FDBF00041)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3c2u | PRO13 | -0.11 | -0.45 | -0.56 | 0.22 | -0.34 |
| 3c2u | SER29 | -0.11 | 1.06 | 0.95 | -1.41 | -0.46 |
| 3c2u | TRP73 | -0.93 | 0.11 | -0.82 | -0.01 | -0.83 |
| 3c2u | ALA74 | -0.27 | 0.21 | -0.06 | -0.25 | -0.31 |
| 3c2u | ARG290 | 0.55 | -7.37 | -6.82 | 1.71 | -5.11 |
| 3c2u | PHE508 | -0.62 | 0.16 | -0.46 | 0.06 | -0.39 |
