Binding information for 4eki_ligand_4_195.mol2(FDBF00243)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4eki_ligand_4_195.mol2 | 4eki | 1 | -6.04 | CC[N@H+](C)C(C)C | 7 |
Structure and binding mode of 4eki_ligand_4_195.mol2(FDBF00243)
Important binding residues for 4eki_ligand_4_195.mol2(FDBF00243)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4eki | GLY163 | -0.15 | -8.18 | -8.33 | 6.53 | -1.80 |
| 4eki | SER164 | -0.52 | 0.77 | 0.25 | -0.61 | -0.36 |
| 4eki | GLY165 | -0.57 | 1.35 | 0.78 | -1.38 | -0.60 |
| 4eki | PHE245 | -0.55 | -13.67 | -14.22 | 13.75 | -0.47 |
