Binding information for 3gi6_ligand_frag_11.mol2(FDBF00703)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gi6_ligand_frag_11.mol2 | 3gi6 | 0.823529 | -5.28 | C1OC(=O)NC1 | 6 |
Structure and binding mode of 3gi6_ligand_frag_11.mol2(FDBF00703)
Important binding residues for 3gi6_ligand_frag_11.mol2(FDBF00703)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gi6 | ALA28 | 0.25 | -1.49 | -1.24 | 0.57 | -0.67 |
| 3gi6 | ARG8 | -0.22 | -2.06 | -2.28 | 1.73 | -0.56 |
| 3gi6 | ILE50 | -0.40 | 0.09 | -0.31 | -0.11 | -0.42 |
