Binding information for 3b2w_ligand_1_0.mol2(FDBF00497)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3b2w_ligand_1_0.mol2 | 3b2w | 0.8 | -6.90 | N(C=O)c1ccccc1C | 10 |
Structure and binding mode of 3b2w_ligand_1_0.mol2(FDBF00497)
Important binding residues for 3b2w_ligand_1_0.mol2(FDBF00497)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3b2w | VAL259 | -0.60 | 0.16 | -0.44 | -0.22 | -0.65 |
| 3b2w | ALA271 | -1.06 | 0.53 | -0.53 | -0.23 | -0.75 |
| 3b2w | VAL272 | -0.56 | -0.10 | -0.66 | 0.13 | -0.52 |
| 3b2w | LYS273 | -1.88 | -1.21 | -3.09 | 0.59 | -2.50 |
| 3b2w | MET292 | -0.57 | -0.42 | -0.99 | 0.47 | -0.53 |
| 3b2w | VAL301 | -1.03 | -0.52 | -1.55 | 0.28 | -1.27 |
| 3b2w | ILE314 | -0.64 | -0.23 | -0.87 | 0.16 | -0.71 |
| 3b2w | ILE315 | -0.31 | -0.06 | -0.37 | -0.17 | -0.54 |
| 3b2w | LEU371 | -0.59 | 0.11 | -0.48 | -0.17 | -0.65 |
