Binding information for 3cid_ligand_2_5.mol2(FDBF05740)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cid_ligand_2_5.mol2 | 3cid | 1 | -6.45 | N(C(=O)c1cccc(c1)C)C | 11 |
Structure and binding mode of 3cid_ligand_2_5.mol2(FDBF05740)
Important binding residues for 3cid_ligand_2_5.mol2(FDBF05740)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3cid | TYR132 | -1.01 | -1.52 | -2.53 | 0.98 | -1.55 |
| 3cid | THR133 | -0.98 | -2.07 | -3.05 | 1.88 | -1.16 |
| 3cid | GLN134 | -1.23 | -2.77 | -4 | 1.89 | -2.11 |
| 3cid | GLY291 | -0.62 | -2.38 | -3 | 2.19 | -0.81 |
| 3cid | THR292 | -1.70 | 0.01 | -1.69 | 0.52 | -1.16 |
| 3cid | ARG296 | -0.86 | -0.07 | -0.93 | 0.54 | -0.40 |
