Binding information for 2r1w_ligand.mol2(FDBF06806)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2r1w_ligand.mol2 | 2r1w | 0.639535 | -4.93 | O[C@]1(C(=O)O)C=CC[C@H](O1)[C@H](O)CO | 15 |
Structure and binding mode of 2r1w_ligand.mol2(FDBF06806)
Important binding residues for 2r1w_ligand.mol2(FDBF06806)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2r1w | ASN30A | 0.83 | -28.30 | -27.47 | 24.64 | -2.83 |
| 2r1w | ARG30C | -2.03 | -32.97 | -35 | 32.88 | -2.12 |
