Binding information for 2gh6_ligand_frag_9.mol2(FDBF00177)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2gh6_ligand_frag_9.mol2 | 2gh6 | 1 | -5.41 | C(F)(F)F | 4 |
Structure and binding mode of 2gh6_ligand_frag_9.mol2(FDBF00177)
Important binding residues for 2gh6_ligand_frag_9.mol2(FDBF00177)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2gh6 | PHE152 | -0.40 | -0.11 | -0.51 | 0.02 | -0.48 |
| 2gh6 | ASP180 | -0.16 | -0.92 | -1.08 | -0.41 | -1.48 |
| 2gh6 | HIS182 | -0.14 | -0.54 | -0.68 | -0.17 | -0.85 |
| 2gh6 | ASP268 | -0.08 | -1.96 | -2.04 | 0.84 | -1.19 |
