Binding information for 1mj7_ligand_2_23.mol2(FDBF00027)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mj7_ligand_2_23.mol2 | 1mj7 | 1 | -5.75 | N(C(=O)C)C | 5 |
Structure and binding mode of 1mj7_ligand_2_23.mol2(FDBF00027)
Important binding residues for 1mj7_ligand_2_23.mol2(FDBF00027)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mj7 | TYR94 | -0.46 | -1.04 | -1.5 | 1.17 | -0.32 |
| 1mj7 | TRP33 | -1.38 | 0.31 | -1.07 | -0.14 | -1.22 |
| 1mj7 | ASN35 | -0.48 | -2.06 | -2.54 | 0.75 | -1.79 |
| 1mj7 | ASN50 | -0.29 | -3.60 | -3.89 | 1.41 | -2.48 |
