Binding information for 1zgv_ligand_frag_0.mol2(FDBF00205)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1zgv_ligand_frag_0.mol2 | 1zgv | 1 | -6.86 | c1c(ccc(c1)Cl)C | 8 |
Structure and binding mode of 1zgv_ligand_frag_0.mol2(FDBF00205)
Important binding residues for 1zgv_ligand_frag_0.mol2(FDBF00205)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1zgv | ALA190 | -1.30 | -0.56 | -1.86 | 0.82 | -1.04 |
| 1zgv | CYS191 | -1.06 | 0.24 | -0.82 | -0.04 | -0.86 |
| 1zgv | GLU192 | -0.58 | -0.70 | -1.28 | 0.95 | -0.32 |
| 1zgv | VAL213 | -0.54 | -0.25 | -0.79 | -0.04 | -0.83 |
| 1zgv | SER214 | -0.56 | -0.54 | -1.1 | 0.47 | -0.63 |
| 1zgv | TRP215 | -1.45 | 0.21 | -1.24 | 0.06 | -1.18 |
| 1zgv | GLY216 | -1.23 | 0.14 | -1.09 | 0.28 | -0.82 |
| 1zgv | GLY226 | -0.58 | -0.54 | -1.12 | 0.11 | -1.01 |
| 1zgv | PHE227 | -0.63 | 0.21 | -0.42 | -0.00 | -0.41 |
