Binding information for 2vvc_ligand_2_12.mol2(FDBF02227)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vvc_ligand_2_12.mol2 | 2vvc | 0.805556 | -5.55 | C[N@@H+]1C[C@H](OC)CC1 | 8 |
Structure and binding mode of 2vvc_ligand_2_12.mol2(FDBF02227)
Important binding residues for 2vvc_ligand_2_12.mol2(FDBF02227)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vvc | CYS191 | -0.67 | 0.25 | -0.42 | -0.29 | -0.71 |
| 2vvc | GLN192 | -1.48 | 2.96 | 1.48 | -2.52 | -1.05 |
| 2vvc | GLY216 | -0.69 | -4.47 | -5.16 | 4.39 | -0.77 |
| 2vvc | GLY218 | -1.23 | -29.98 | -31.21 | 30.88 | -0.33 |
| 2vvc | CYS220 | -0.74 | 22.60 | 21.86 | -22.87 | -1.01 |
