Binding information for 2vl1_ligand_frag_1.mol2(FDBF00003)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vl1_ligand_frag_1.mol2 | 2vl1 | 1 | -5.59 | C(=O)N | 3 |
Structure and binding mode of 2vl1_ligand_frag_1.mol2(FDBF00003)
Important binding residues for 2vl1_ligand_frag_1.mol2(FDBF00003)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vl1 | ASP125 | -0.27 | 3.00 | 2.73 | -6.11 | -3.37 |
| 2vl1 | GLU160 | -0.65 | 4.08 | 3.43 | -7.14 | -3.71 |
| 2vl1 | GLY396 | -0.00 | -2.79 | -2.79 | 2.35 | -0.45 |
| 2vl1 | HIS397 | -0.28 | -0.74 | -1.02 | 0.70 | -0.33 |
| 2vl1 | HIS262 | -0.29 | -4.44 | -4.73 | 4.21 | -0.51 |
