Binding information for 4m3b_ligand_1_0.mol2(FDBF00974)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3b_ligand_1_0.mol2 | 4m3b | 1 | -5.90 | FC(F)(F)C | 5 |
Structure and binding mode of 4m3b_ligand_1_0.mol2(FDBF00974)
Important binding residues for 4m3b_ligand_1_0.mol2(FDBF00974)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4m3b | PHE110 | -1.08 | -0.40 | -1.48 | 0.21 | -1.26 |
| 4m3b | MET142 | -0.49 | -0.95 | -1.44 | 1.10 | -0.33 |
| 4m3b | TRP145 | -0.59 | -0.21 | -0.8 | 0.29 | -0.51 |
| 4m3b | ASN179 | -0.52 | 0.52 | 0 | -0.43 | -0.43 |
| 4m3b | GLU180 | -0.76 | 1.02 | 0.26 | -0.88 | -0.62 |
