Binding information for 4m3b_ligand_frag_3.mol2(FDBF00003)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3b_ligand_frag_3.mol2 | 4m3b | 1 | -5.39 | NC=O | 3 |
Structure and binding mode of 4m3b_ligand_frag_3.mol2(FDBF00003)
Important binding residues for 4m3b_ligand_frag_3.mol2(FDBF00003)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4m3b | ILE107 | -0.28 | 0.16 | -0.12 | -0.19 | -0.31 |
| 4m3b | PHE110 | -0.99 | -0.62 | -1.61 | 0.50 | -1.10 |
| 4m3b | ASN176 | -0.51 | -2.70 | -3.21 | 2.48 | -0.72 |
| 4m3b | ASN179 | 0.04 | -4.73 | -4.69 | 1.92 | -2.77 |
| 4m3b | TRP207 | -0.38 | 0.12 | -0.26 | -0.08 | -0.35 |
