Binding information for 4o2a_ligand_frag_2.mol2(FDBF00046)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4o2a_ligand_frag_2.mol2 | 4o2a | 1 | -6.76 | c1(ccccc1)N | 7 |
Structure and binding mode of 4o2a_ligand_frag_2.mol2(FDBF00046)
Important binding residues for 4o2a_ligand_frag_2.mol2(FDBF00046)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4o2a | TYR202 | -0.36 | -2.04 | -2.4 | 1.40 | -1.00 |
| 4o2a | VAL238 | -0.60 | -2.29 | -2.89 | 1.57 | -1.32 |
| 4o2a | LEU255 | -1.13 | -0.18 | -1.31 | -0.23 | -1.55 |
| 4o2a | ALA316 | -0.71 | -0.01 | -0.72 | -0.11 | -0.83 |
| 4o2a | ILE378 | -1.32 | 0.10 | -1.22 | -0.13 | -1.35 |
