Binding information for 2rcw_ligand_frag_1.mol2(FDBF00003)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2rcw_ligand_frag_1.mol2 | 2rcw | 1 | -5.43 | C(=O)N | 3 |
Structure and binding mode of 2rcw_ligand_frag_1.mol2(FDBF00003)
Important binding residues for 2rcw_ligand_frag_1.mol2(FDBF00003)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2rcw | HIS201 | -0.82 | -0.99 | -1.81 | 0.70 | -1.11 |
| 2rcw | GLY202 | 0.17 | -4.13 | -3.96 | 2.58 | -1.38 |
| 2rcw | PHE236 | -0.25 | -0.79 | -1.04 | 0.66 | -0.39 |
| 2rcw | SER243 | -0.49 | -4.13 | -4.62 | 3.73 | -0.90 |
| 2rcw | TYR246 | -0.90 | -0.78 | -1.68 | 0.72 | -0.96 |
