Binding information for 4ryc_ligand_1_11.mol2(FDBF06412)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ryc_ligand_1_11.mol2 | 4ryc | 0.25 | -5.40 | O(C)C | 3 |
Structure and binding mode of 4ryc_ligand_1_11.mol2(FDBF06412)
Important binding residues for 4ryc_ligand_1_11.mol2(FDBF06412)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ryc | GLN13 | -0.55 | -1.29 | -1.84 | 0.32 | -1.53 |
| 4ryc | TYR14 | -0.93 | -1.10 | -2.03 | 0.74 | -1.29 |
| 4ryc | VAL30 | -0.50 | 0.01 | -0.49 | -0.11 | -0.60 |
