Binding information for 4c1u_ligand_frag_2.mol2(FDBF00639)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4c1u_ligand_frag_2.mol2 | 4c1u | 1 | -6.03 | C1[C@@H](C[C@@H](CO1)O)O | 8 |
Structure and binding mode of 4c1u_ligand_frag_2.mol2(FDBF00639)
Important binding residues for 4c1u_ligand_frag_2.mol2(FDBF00639)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4c1u | ASN72 | -1.24 | -1.06 | -2.3 | 1.01 | -1.28 |
| 4c1u | TRP195 | -0.97 | 0.04 | -0.93 | 0.54 | -0.39 |
| 4c1u | GLN254 | -0.25 | -0.93 | -1.18 | -0.10 | -1.28 |
| 4c1u | TRP277 | -2.70 | -1.68 | -4.38 | 1.58 | -2.79 |
