Binding information for 4dkt_ligand_frag_9.mol2(FDBF04706)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dkt_ligand_frag_9.mol2 | 4dkt | 1 | -5.31 | C(=N)C | 3 |
Structure and binding mode of 4dkt_ligand_frag_9.mol2(FDBF04706)
Important binding residues for 4dkt_ligand_frag_9.mol2(FDBF04706)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4dkt | TRP347 | -0.30 | -0.11 | -0.41 | 0.03 | -0.38 |
| 4dkt | GLY408 | -0.21 | -0.55 | -0.76 | 0.15 | -0.62 |
| 4dkt | VAL469 | -0.31 | 0.03 | -0.28 | -0.15 | -0.43 |
