Binding information for 3chp_ligand_frag_0.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3chp_ligand_frag_0.mol2 | 3chp | 1 | -6.77 | c1ccccc1 | 6 |
Structure and binding mode of 3chp_ligand_frag_0.mol2(FDBF00005)
Important binding residues for 3chp_ligand_frag_0.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3chp | GLN136 | -1.16 | -0.77 | -1.93 | 0.60 | -1.33 |
| 3chp | ALA137 | -0.69 | -0.11 | -0.8 | 0.03 | -0.77 |
| 3chp | PRO374 | -0.73 | 0.19 | -0.54 | 0.07 | -0.47 |
| 3chp | TYR378 | -1.23 | -0.45 | -1.68 | 0.51 | -1.17 |
