Binding information for 3c2u_ligand_2_24.mol2(FDBF00151)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3c2u_ligand_2_24.mol2 | 3c2u | 1 | -5.95 | C(CO)CO | 5 |
Structure and binding mode of 3c2u_ligand_2_24.mol2(FDBF00151)
Important binding residues for 3c2u_ligand_2_24.mol2(FDBF00151)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3c2u | PRO13 | -0.14 | -0.38 | -0.52 | 0.08 | -0.44 |
| 3c2u | SER29 | -0.16 | 0.75 | 0.59 | -1.24 | -0.64 |
| 3c2u | TRP73 | -1.31 | -0.41 | -1.72 | 0.13 | -1.60 |
| 3c2u | ALA74 | -0.60 | -0.53 | -1.13 | -0.49 | -1.62 |
| 3c2u | PHE126 | -0.41 | 1.01 | 0.6 | -1.17 | -0.58 |
| 3c2u | ARG290 | 0.59 | -7.42 | -6.83 | 1.69 | -5.13 |
| 3c2u | PHE508 | -0.68 | 0.16 | -0.52 | 0.15 | -0.37 |
