Binding information for 3eq7_ligand_frag_4.mol2(FDBF00002)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3eq7_ligand_frag_4.mol2 | 3eq7 | 1 | -6.33 | C(=O)N1CCCC1 | 7 |
Structure and binding mode of 3eq7_ligand_frag_4.mol2(FDBF00002)
Important binding residues for 3eq7_ligand_frag_4.mol2(FDBF00002)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3eq7 | PHE476 | -1.10 | -0.40 | -1.5 | 0.65 | -0.85 |
| 3eq7 | ASN555 | -0.73 | 0.30 | -0.43 | -0.29 | -0.72 |
| 3eq7 | TRP595 | -2.72 | -0.64 | -3.36 | 1.74 | -1.62 |
| 3eq7 | ARG643 | 0.42 | -12.20 | -11.78 | 8.29 | -3.49 |
