Binding information for 3chd_ligand_2_33.mol2(FDBF00181)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3chd_ligand_2_33.mol2 | 3chd | 0.863636 | -5.30 | C[C@H](N(C=O)C)C(=O)O | 9 |
Structure and binding mode of 3chd_ligand_2_33.mol2(FDBF00181)
Important binding residues for 3chd_ligand_2_33.mol2(FDBF00181)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3chd | TRP137 | -1.11 | -1.71 | -2.82 | 1.85 | -0.96 |
| 3chd | PHE251 | -0.62 | -1.13 | -1.75 | 1.28 | -0.47 |
