Binding information for 2p16_ligand_frag_4.mol2(FDBF00785)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2p16_ligand_frag_4.mol2 | 2p16 | 0.931034 | -6.07 | C1(=O)NCCCC1 | 7 |
Structure and binding mode of 2p16_ligand_frag_4.mol2(FDBF00785)
Important binding residues for 2p16_ligand_frag_4.mol2(FDBF00785)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2p16 | TYR99 | -1.65 | -0.45 | -2.1 | 0.79 | -1.30 |
| 2p16 | PHE174 | -1.21 | -0.04 | -1.25 | 0.40 | -0.85 |
| 2p16 | TRP215 | -1.38 | -0.53 | -1.91 | 0.81 | -1.09 |
