Binding information for 2rin_ligand_1_1.mol2(FDBF00103)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2rin_ligand_1_1.mol2 | 2rin | 1 | -6.09 | CCOC(=O)C | 6 |
Structure and binding mode of 2rin_ligand_1_1.mol2(FDBF00103)
Important binding residues for 2rin_ligand_1_1.mol2(FDBF00103)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2rin | MET94 | -0.48 | -0.53 | -1.01 | 0.41 | -0.60 |
| 2rin | ASN156 | 2.19 | -4.33 | -2.14 | 0.82 | -1.32 |
| 2rin | TRP205 | -0.42 | -0.05 | -0.47 | 0.04 | -0.42 |
