Binding information for 1nhv_ligand_3_0.mol2(FDBF00181)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1nhv_ligand_3_0.mol2 | 1nhv | 0.863636 | -5.35 | CN([C@@H](C)C(=O)O)C=O | 9 |
Structure and binding mode of 1nhv_ligand_3_0.mol2(FDBF00181)
Important binding residues for 1nhv_ligand_3_0.mol2(FDBF00181)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1nhv | LEU419 | -0.26 | -0.59 | -0.85 | 0.53 | -0.32 |
| 1nhv | HIS475 | -0.94 | -3.07 | -4.01 | 1.25 | -2.77 |
| 1nhv | SER476 | 0.00 | -10.71 | -10.71 | 7.33 | -3.38 |
| 1nhv | TYR477 | -0.73 | -1.97 | -2.7 | 0.16 | -2.55 |
| 1nhv | ARG501 | -0.21 | -20.29 | -20.5 | 20.10 | -0.40 |
