Binding information for 2zfp_ligand_frag_0.mol2(FDBF00002)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zfp_ligand_frag_0.mol2 | 2zfp | 1 | -5.94 | N1(CCCC1)C=O | 7 |
Structure and binding mode of 2zfp_ligand_frag_0.mol2(FDBF00002)
Important binding residues for 2zfp_ligand_frag_0.mol2(FDBF00002)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zfp | TYR60A | -1.10 | -0.44 | -1.54 | 0.89 | -0.66 |
| 2zfp | TRP60D | -1.19 | -0.26 | -1.45 | 0.74 | -0.71 |
| 2zfp | TRP215 | -0.85 | -2.04 | -2.89 | 1.10 | -1.79 |
| 2zfp | GLY216 | -0.42 | 0.26 | -0.16 | -0.20 | -0.37 |
