Binding information for 4m3b_ligand_1_2.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3b_ligand_1_2.mol2 | 4m3b | 1 | -5.61 | CNC=O | 4 |
Structure and binding mode of 4m3b_ligand_1_2.mol2(FDBF00024)
Important binding residues for 4m3b_ligand_1_2.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4m3b | ILE107 | -0.30 | 0.17 | -0.13 | -0.19 | -0.33 |
| 4m3b | PHE110 | -1.22 | -0.60 | -1.82 | 0.62 | -1.20 |
| 4m3b | ASN176 | -1.10 | -2.78 | -3.88 | 2.80 | -1.08 |
| 4m3b | ASN179 | -0.09 | -4.82 | -4.91 | 1.88 | -3.03 |
| 4m3b | TRP207 | -0.43 | 0.14 | -0.29 | -0.07 | -0.36 |
