Binding information for 3m2u_ligand_4_111.mol2(FDBF00137)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3m2u_ligand_4_111.mol2 | 3m2u | 0.384615 | -6.64 | C(C)CCCS | 6 |
Structure and binding mode of 3m2u_ligand_4_111.mol2(FDBF00137)
Important binding residues for 3m2u_ligand_4_111.mol2(FDBF00137)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3m2u | LEU320 | -1.00 | -0.20 | -1.2 | 0.63 | -0.57 |
| 3m2u | PHE330 | -0.70 | -0.17 | -0.87 | 0.57 | -0.31 |
| 3m2u | ASN481 | -0.48 | -2.80 | -3.28 | 1.26 | -2.03 |
| 3m2u | VAL482 | -0.86 | -0.35 | -1.21 | -0.09 | -1.31 |
| 3m2u | PHE361 | -0.79 | -0.33 | -1.12 | 0.60 | -0.52 |
| 3m2u | TYR367 | -1.69 | -0.18 | -1.87 | 0.61 | -1.26 |
