Binding information for 1nms_ligand_frag_2.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1nms_ligand_frag_2.mol2 | 1nms | 1 | -5.99 | CC(=O)O | 4 |
Structure and binding mode of 1nms_ligand_frag_2.mol2(FDBF00004)
Important binding residues for 1nms_ligand_frag_2.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1nms | ARG64 | -0.20 | -52.05 | -52.25 | 42.36 | -9.89 |
| 1nms | SER120 | -0.51 | 3.06 | 2.55 | -3.04 | -0.49 |
| 1nms | GLN161 | -0.37 | -10.40 | -10.77 | 5.12 | -5.65 |
| 1nms | ALA162 | -0.51 | -1.72 | -2.23 | 1.57 | -0.66 |
| 1nms | ARG207 | -0.23 | -51.50 | -51.73 | 41.98 | -9.75 |
