Binding information for 3gi4_ligand_frag_10.mol2(FDBF07651)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gi4_ligand_frag_10.mol2 | 3gi4 | 0.5 | -5.29 | C1OC(=O)NC1 | 6 |
Structure and binding mode of 3gi4_ligand_frag_10.mol2(FDBF07651)
Important binding residues for 3gi4_ligand_frag_10.mol2(FDBF07651)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gi4 | ALA28 | 0.35 | -1.46 | -1.11 | 0.55 | -0.56 |
| 3gi4 | ARG8 | -0.25 | -2.29 | -2.54 | 1.89 | -0.65 |
| 3gi4 | ILE50 | -0.39 | 0.08 | -0.31 | -0.10 | -0.41 |
