Binding information for 5abf_ligand_frag_0.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5abf_ligand_frag_0.mol2 | 5abf | 1 | -5.49 | O=CNC | 4 |
Structure and binding mode of 5abf_ligand_frag_0.mol2(FDBF00024)
Important binding residues for 5abf_ligand_frag_0.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5abf | TYR282 | -1.46 | 0.69 | -0.77 | 0.13 | -0.65 |
| 5abf | VAL314 | -0.29 | 0.45 | 0.16 | -0.52 | -0.36 |
| 5abf | TRP337 | -1.55 | -0.51 | -2.06 | 0.85 | -1.22 |
| 5abf | ASN339 | -0.33 | -2.39 | -2.72 | 0.30 | -2.42 |
