Binding information for 4u0m_ligand_3_130.mol2(FDBF00050)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4u0m_ligand_3_130.mol2 | 4u0m | 1 | -6.83 | NC(=O)c1ccc(cc1)NC | 11 |
Structure and binding mode of 4u0m_ligand_3_130.mol2(FDBF00050)
Important binding residues for 4u0m_ligand_3_130.mol2(FDBF00050)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4u0m | ARG108 | -1.97 | -10.35 | -12.32 | 9.69 | -2.63 |
| 4u0m | PHE109 | -0.56 | -2.56 | -3.12 | 2.12 | -1.00 |
| 4u0m | TRP110 | -1.48 | -0.27 | -1.75 | 0.53 | -1.22 |
| 4u0m | TYR137 | -1.23 | -0.20 | -1.43 | 0.40 | -1.04 |
| 4u0m | ILE199 | -0.59 | 0.58 | -0.01 | -0.55 | -0.56 |
| 4u0m | PHE204 | -0.70 | -0.21 | -0.91 | 0.40 | -0.51 |
| 4u0m | LEU240 | -0.51 | 0.11 | -0.4 | -0.08 | -0.48 |
