Binding information for 3gi5_ligand_frag_2.mol2(FDBF00707)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gi5_ligand_frag_2.mol2 | 3gi5 | 1 | -5.29 | N1C(=O)OCC1 | 6 |
Structure and binding mode of 3gi5_ligand_frag_2.mol2(FDBF00707)
Important binding residues for 3gi5_ligand_frag_2.mol2(FDBF00707)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gi5 | ALA28 | 0.15 | -1.45 | -1.3 | 0.58 | -0.72 |
| 3gi5 | ARG8 | -0.23 | -2.21 | -2.44 | 1.86 | -0.58 |
| 3gi5 | ILE50 | -0.40 | 0.09 | -0.31 | -0.11 | -0.43 |
