Binding information for 2wd3_ligand_1_2.mol2(FDBF00260)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wd3_ligand_1_2.mol2 | 2wd3 | 0.633333 | -5.22 | [nH]1cn[n+](c1)C | 6 |
Structure and binding mode of 2wd3_ligand_1_2.mol2(FDBF00260)
Important binding residues for 2wd3_ligand_1_2.mol2(FDBF00260)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wd3 | LEU60 | -1.00 | -0.54 | -1.54 | 0.61 | -0.93 |
| 2wd3 | ASN62 | -0.97 | -1.92 | -2.89 | 1.30 | -1.59 |
