Binding information for 2e2b_ligand_frag_5.mol2(FDBF00790)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2e2b_ligand_frag_5.mol2 | 2e2b | 1 | -5.96 | n1cnccc1 | 6 |
Structure and binding mode of 2e2b_ligand_frag_5.mol2(FDBF00790)
Important binding residues for 2e2b_ligand_frag_5.mol2(FDBF00790)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2e2b | LEU248 | -0.96 | 0.16 | -0.8 | 0.10 | -0.70 |
| 2e2b | TYR253 | -0.70 | -0.64 | -1.34 | 0.81 | -0.53 |
| 2e2b | ALA269 | -0.39 | 0.12 | -0.27 | -0.13 | -0.40 |
| 2e2b | PHE317 | -1.81 | -1.29 | -3.1 | 0.55 | -2.54 |
| 2e2b | GLY321 | -0.48 | -0.41 | -0.89 | 0.18 | -0.71 |
| 2e2b | LEU370 | -0.99 | -0.09 | -1.08 | -0.01 | -1.10 |
