Binding information for 2vl1_ligand_frag_2.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vl1_ligand_frag_2.mol2 | 2vl1 | 1 | -5.99 | CC(=O)O | 4 |
Structure and binding mode of 2vl1_ligand_frag_2.mol2(FDBF00004)
Important binding residues for 2vl1_ligand_frag_2.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vl1 | GLU160 | -0.40 | 27.45 | 27.05 | -27.50 | -0.46 |
| 2vl1 | SER167 | -0.33 | -1.00 | -1.33 | 1.00 | -0.33 |
| 2vl1 | TRP251 | -0.38 | 11.89 | 11.51 | -11.94 | -0.44 |
| 2vl1 | ARG322 | 1.62 | -41.48 | -39.86 | 26.60 | -13.26 |
| 2vl1 | ALA395 | -0.58 | -6.26 | -6.84 | 3.65 | -3.19 |
| 2vl1 | GLY396 | 0.14 | -3.02 | -2.88 | 0.85 | -2.03 |
| 2vl1 | HIS262 | -0.66 | -25.10 | -25.76 | 24.08 | -1.68 |
| 2vl1 | ASN309 | -0.48 | -9.86 | -10.34 | 5.46 | -4.88 |
