Binding information for 2jiw_ligand_frag_2.mol2(FDBF00015)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2jiw_ligand_frag_2.mol2 | 2jiw | 1 | -5.89 | NC(=O)C | 4 |
Structure and binding mode of 2jiw_ligand_frag_2.mol2(FDBF00015)
Important binding residues for 2jiw_ligand_frag_2.mol2(FDBF00015)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2jiw | ASP242 | -0.20 | -7.64 | -7.84 | 7.54 | -0.31 |
| 2jiw | TYR282 | -1.43 | 0.13 | -1.3 | -0.11 | -1.41 |
| 2jiw | THR310 | -0.47 | 1.18 | 0.71 | -1.10 | -0.39 |
| 2jiw | TRP337 | -1.82 | -2.04 | -3.86 | 1.97 | -1.88 |
| 2jiw | ASN339 | -0.15 | -3.25 | -3.4 | 0.83 | -2.57 |
