Binding information for 2uw5_ligand_2_0.mol2(FDBF00207)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2uw5_ligand_2_0.mol2 | 2uw5 | 1 | -6.44 | c1(ccc(Cl)cc1)CC[NH3+] | 10 |
Structure and binding mode of 2uw5_ligand_2_0.mol2(FDBF00207)
Important binding residues for 2uw5_ligand_2_0.mol2(FDBF00207)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2uw5 | THR51 | -1.08 | -1.81 | -2.89 | 2.26 | -0.63 |
| 2uw5 | GLY52 | -0.67 | 0.14 | -0.53 | -0.19 | -0.73 |
| 2uw5 | GLY55 | -0.51 | -0.50 | -1.01 | 0.67 | -0.33 |
| 2uw5 | VAL57 | -1.39 | -0.05 | -1.44 | -0.10 | -1.53 |
| 2uw5 | GLU91 | -0.05 | -28.08 | -28.13 | 27.64 | -0.50 |
| 2uw5 | GLU170 | -0.54 | -25.84 | -26.38 | 25.95 | -0.43 |
| 2uw5 | ASN171 | -0.74 | -9.77 | -10.51 | 7.84 | -2.66 |
| 2uw5 | MET173 | -0.22 | -1.15 | -1.37 | 1.04 | -0.33 |
