Binding information for 2anm_ligand_frag_3.mol2(FDBF00002)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2anm_ligand_frag_3.mol2 | 2anm | 1 | -5.94 | C1CCCN1C=O | 7 |
Structure and binding mode of 2anm_ligand_frag_3.mol2(FDBF00002)
Important binding residues for 2anm_ligand_frag_3.mol2(FDBF00002)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2anm | HIS57 | -0.94 | -0.22 | -1.16 | 0.66 | -0.50 |
| 2anm | TYR60A | -0.93 | -0.39 | -1.32 | 0.86 | -0.46 |
| 2anm | TRP60D | -1.07 | -0.21 | -1.28 | 0.61 | -0.67 |
| 2anm | LEU99 | -0.76 | 0.13 | -0.63 | -0.16 | -0.79 |
| 2anm | TRP215 | -0.58 | -2.03 | -2.61 | 1.06 | -1.55 |
