Binding information for 3bpc_ligand_frag_6.mol2(FDBF06806)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bpc_ligand_frag_6.mol2 | 3bpc | 0.686567 | -5.12 | [C@@H]1(C=CCCO1)C(=O)O | 9 |
Structure and binding mode of 3bpc_ligand_frag_6.mol2(FDBF06806)
Important binding residues for 3bpc_ligand_frag_6.mol2(FDBF06806)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3bpc | ASN30A | 0.76 | -29.59 | -28.83 | 25.80 | -3.03 |
| 3bpc | ARG30C | -1.93 | -35.21 | -37.14 | 35.21 | -1.93 |
