Binding information for 4uvc_ligand_3_814.mol2(FDBF00173)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4uvc_ligand_3_814.mol2 | 4uvc | 0.8 | -6.91 | CC[C@H](c1ccccc1)[NH3+] | 10 |
Structure and binding mode of 4uvc_ligand_3_814.mol2(FDBF00173)
Important binding residues for 4uvc_ligand_3_814.mol2(FDBF00173)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4uvc | VAL333 | -0.69 | -0.47 | -1.16 | 0.74 | -0.41 |
| 4uvc | TRP695 | -0.81 | -12.78 | -13.59 | 12.82 | -0.76 |
