Binding information for 2ra6_ligand.mol2(FDBF03474)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ra6_ligand.mol2 | 2ra6 | 1 | -7.57 | CCc1ccc(cc1)O | 10 |
Structure and binding mode of 2ra6_ligand.mol2(FDBF03474)
Important binding residues for 2ra6_ligand.mol2(FDBF03474)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ra6 | ILE54 | -0.80 | -0.07 | -0.87 | 0.01 | -0.86 |
| 2ra6 | ASN62 | -0.66 | -0.72 | -1.38 | -0.06 | -1.44 |
| 2ra6 | GLY63 | -0.34 | -1.25 | -1.59 | 0.06 | -1.53 |
| 2ra6 | PHE65 | -1.08 | 0.17 | -0.91 | 0.26 | -0.65 |
| 2ra6 | THR79 | -0.58 | -0.57 | -1.15 | -0.08 | -1.23 |
| 2ra6 | ALA80 | -1.05 | -0.62 | -1.67 | 0.00 | -1.68 |
| 2ra6 | LEU91 | -0.67 | 0.17 | -0.5 | -0.13 | -0.62 |
| 2ra6 | VAL99 | -0.37 | 0.34 | -0.03 | -0.28 | -0.31 |
| 2ra6 | PHE112 | -1.40 | -0.14 | -1.54 | 0.48 | -1.06 |
