Binding information for 1at5_ligand_frag_9.mol2(FDBF00015)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1at5_ligand_frag_9.mol2 | 1at5 | 1 | -5.80 | C(=O)(N)C | 4 |
Structure and binding mode of 1at5_ligand_frag_9.mol2(FDBF00015)
Important binding residues for 1at5_ligand_frag_9.mol2(FDBF00015)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1at5 | ILE58 | -0.93 | -1.61 | -2.54 | 0.59 | -1.94 |
| 1at5 | ASN59 | -0.22 | -2.26 | -2.48 | 0.51 | -1.98 |
| 1at5 | TRP63 | -0.65 | -1.39 | -2.04 | 1.45 | -0.59 |
| 1at5 | ILE98 | -0.62 | -0.02 | -0.64 | 0.05 | -0.59 |
| 1at5 | ALA107 | -0.43 | -2.61 | -3.04 | 2.08 | -0.96 |
| 1at5 | TRP108 | -1.00 | -0.47 | -1.47 | 0.47 | -1.00 |
