Binding information for 1mzc_ligand_frag_0.mol2(FDBF00784)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mzc_ligand_frag_0.mol2 | 1mzc | 0.861111 | -5.90 | C1C(=O)N(CCCC1)C | 9 |
Structure and binding mode of 1mzc_ligand_frag_0.mol2(FDBF00784)
Important binding residues for 1mzc_ligand_frag_0.mol2(FDBF00784)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mzc | TYR166 | -0.80 | 0.15 | -0.65 | 0.19 | -0.46 |
| 1mzc | TRP602 | -1.24 | 0.61 | -0.63 | -0.15 | -0.78 |
| 1mzc | ALA651 | -0.46 | 0.21 | -0.25 | -0.18 | -0.43 |
