Binding information for 2xzc_ligand_1_1.mol2(FDBF00503)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xzc_ligand_1_1.mol2 | 2xzc | 1 | -6.46 | O[C@H]1C[C@@H]2[N@H+]([C@@H](CC2)C1)C | 10 |
Structure and binding mode of 2xzc_ligand_1_1.mol2(FDBF00503)
Important binding residues for 2xzc_ligand_1_1.mol2(FDBF00503)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xzc | LEU99 | -1.24 | -17.60 | -18.84 | 17.77 | -1.07 |
| 2xzc | ASN105 | -0.26 | -9.53 | -9.79 | 7.51 | -2.28 |
| 2xzc | ALA107 | -0.60 | 0.16 | -0.44 | -0.09 | -0.54 |
| 2xzc | LEU47 | -0.93 | 1.40 | 0.47 | -1.39 | -0.92 |
| 2xzc | TYR50 | -0.66 | 1.11 | 0.45 | -0.94 | -0.49 |
