Binding information for 4oc3_ligand_frag_10.mol2(FDBF01001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4oc3_ligand_frag_10.mol2 | 4oc3 | 1 | -5.76 | c1ccco1 | 5 |
Structure and binding mode of 4oc3_ligand_frag_10.mol2(FDBF01001)
Important binding residues for 4oc3_ligand_frag_10.mol2(FDBF01001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4oc3 | PHE209 | -0.84 | -0.25 | -1.09 | 0.13 | -0.96 |
| 4oc3 | GLU425 | -0.21 | -0.10 | -0.31 | -0.02 | -0.33 |
| 4oc3 | LEU428 | -0.55 | 0.02 | -0.53 | -0.01 | -0.54 |
| 4oc3 | SER517 | -0.26 | 0.03 | -0.23 | -0.23 | -0.45 |
| 4oc3 | GLY518 | -0.69 | -0.11 | -0.8 | 0.30 | -0.50 |
| 4oc3 | GLU522 | -0.09 | -1.02 | -1.11 | 0.80 | -0.31 |
