Binding information for 3bl1_ligand_frag_3.mol2(FDBF01840)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bl1_ligand_frag_3.mol2 | 3bl1 | 0.508621 | -6.04 | N1[C@H](Cc2c1cccc2)C | 10 |
Structure and binding mode of 3bl1_ligand_frag_3.mol2(FDBF01840)
Important binding residues for 3bl1_ligand_frag_3.mol2(FDBF01840)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3bl1 | ASN62 | -0.68 | 0.06 | -0.62 | 0.15 | -0.47 |
| 3bl1 | PHE131 | -0.90 | -0.23 | -1.13 | 0.57 | -0.57 |
