Binding information for 1h00_ligand_frag_9.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h00_ligand_frag_9.mol2 | 1h00 | 0.25 | -4.77 | [NH2+](C)C | 3 |
Structure and binding mode of 1h00_ligand_frag_9.mol2(FDBF00001)
Important binding residues for 1h00_ligand_frag_9.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1h00 | GLU12 | -0.01 | -28.13 | -28.14 | 27.82 | -0.31 |
| 1h00 | ASP86 | -0.03 | -23.20 | -23.23 | 22.83 | -0.40 |
| 1h00 | ASP92 | -0.01 | -32.13 | -32.14 | 31.83 | -0.31 |
