Binding information for 2nv7_ligand_frag_2.mol2(FDBF00178)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2nv7_ligand_frag_2.mol2 | 2nv7 | 1 | -5.29 | C[NH2+]O | 3 |
Structure and binding mode of 2nv7_ligand_frag_2.mol2(FDBF00178)
Important binding residues for 2nv7_ligand_frag_2.mol2(FDBF00178)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2nv7 | HIS475 | 0.27 | -3.96 | -3.69 | 2.37 | -1.33 |
| 2nv7 | LEU476 | -0.37 | -0.18 | -0.55 | 0.08 | -0.47 |
| 2nv7 | MET479 | -0.21 | -0.32 | -0.53 | 0.04 | -0.49 |
