Binding information for 3g1m_ligand_frag_0.mol2(FDBF00656)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g1m_ligand_frag_0.mol2 | 3g1m | 0.464286 | -6.08 | c1ccsc1 | 5 |
Structure and binding mode of 3g1m_ligand_frag_0.mol2(FDBF00656)
Important binding residues for 3g1m_ligand_frag_0.mol2(FDBF00656)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3g1m | PHE110 | -0.89 | -0.15 | -1.04 | 0.37 | -0.67 |
| 3g1m | PHE114 | -0.60 | -0.03 | -0.63 | 0.25 | -0.38 |
| 3g1m | ASN179 | -1.13 | -0.84 | -1.97 | 0.38 | -1.58 |
| 3g1m | GLU180 | -0.85 | -0.29 | -1.14 | 0.76 | -0.37 |
| 3g1m | LEU183 | -0.31 | 0.04 | -0.27 | -0.07 | -0.34 |
