Binding information for 4oc1_ligand_frag_0.mol2(FDBF00826)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4oc1_ligand_frag_0.mol2 | 4oc1 | 1 | -5.39 | C1OC1 | 3 |
Structure and binding mode of 4oc1_ligand_frag_0.mol2(FDBF00826)
Important binding residues for 4oc1_ligand_frag_0.mol2(FDBF00826)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4oc1 | ASN257 | -0.19 | -1.20 | -1.39 | 0.48 | -0.92 |
| 4oc1 | GLU424 | -0.32 | -3.06 | -3.38 | 2.82 | -0.55 |
| 4oc1 | GLU425 | -0.27 | -0.52 | -0.79 | 0.42 | -0.38 |
