Binding information for 2vc9_ligand_frag_0.mol2(FDBF00015)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vc9_ligand_frag_0.mol2 | 2vc9 | 1 | -5.75 | CC(=O)N | 4 |
Structure and binding mode of 2vc9_ligand_frag_0.mol2(FDBF00015)
Important binding residues for 2vc9_ligand_frag_0.mol2(FDBF00015)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vc9 | TYR305 | 0.82 | -4.42 | -3.6 | 3.24 | -0.36 |
| 2vc9 | TRP366 | -1.11 | -0.88 | -1.99 | 0.91 | -1.08 |
| 2vc9 | TRP811 | -0.64 | -0.83 | -1.47 | 1.06 | -0.40 |
| 2vc9 | TYR825 | -1.44 | -1.20 | -2.64 | 1.26 | -1.38 |
