Binding information for 2vvc_ligand_1_4.mol2(FDBF02227)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vvc_ligand_1_4.mol2 | 2vvc | 0.777778 | -5.50 | O(C)[C@H]1C[NH2+]CC1 | 7 |
Structure and binding mode of 2vvc_ligand_1_4.mol2(FDBF02227)
Important binding residues for 2vvc_ligand_1_4.mol2(FDBF02227)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vvc | CYS191 | -0.66 | 0.28 | -0.38 | -0.29 | -0.66 |
| 2vvc | GLN192 | -1.39 | 2.83 | 1.44 | -2.42 | -0.98 |
| 2vvc | GLY216 | -0.64 | -4.73 | -5.37 | 4.41 | -0.96 |
| 2vvc | GLY218 | -1.20 | -30.89 | -32.09 | 31.12 | -0.96 |
| 2vvc | CYS220 | -0.73 | 23.11 | 22.38 | -23.05 | -0.68 |
