Binding information for 1r6n_ligand_frag_4.mol2(FDBF07584)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1r6n_ligand_frag_4.mol2 | 1r6n | 0.709677 | -4.94 | c1nnsc1 | 5 |
Structure and binding mode of 1r6n_ligand_frag_4.mol2(FDBF07584)
Important binding residues for 1r6n_ligand_frag_4.mol2(FDBF07584)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1r6n | GLU100 | -0.34 | 0.88 | 0.54 | -0.85 | -0.31 |
| 1r6n | MET101 | -0.56 | 0.03 | -0.53 | -0.03 | -0.55 |
