Binding information for 4eqc_ligand_frag_3.mol2(FDBF00636)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4eqc_ligand_frag_3.mol2 | 4eqc | 1 | -5.50 | c1cncs1 | 5 |
Structure and binding mode of 4eqc_ligand_frag_3.mol2(FDBF00636)
Important binding residues for 4eqc_ligand_frag_3.mol2(FDBF00636)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4eqc | ILE312 | -0.30 | -0.24 | -0.54 | 0.16 | -0.38 |
| 4eqc | ILE316 | -0.73 | -0.19 | -0.92 | 0.18 | -0.75 |
| 4eqc | MET319 | -0.49 | 0.07 | -0.42 | 0.01 | -0.40 |
| 4eqc | VAL342 | -0.87 | -0.25 | -1.12 | 0.03 | -1.09 |
| 4eqc | MET344 | -0.57 | 0.17 | -0.4 | -0.12 | -0.53 |
