Binding information for 4z3v_ligand_frag_2.mol2(FDBF00003)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4z3v_ligand_frag_2.mol2 | 4z3v | 1 | -5.39 | C(=O)N | 3 |
Structure and binding mode of 4z3v_ligand_frag_2.mol2(FDBF00003)
Important binding residues for 4z3v_ligand_frag_2.mol2(FDBF00003)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4z3v | LEU408 | -0.36 | -0.05 | -0.41 | 0.01 | -0.40 |
| 4z3v | ALA428 | -0.35 | -0.09 | -0.44 | 0.08 | -0.36 |
| 4z3v | GLU475 | 0.04 | -3.04 | -3 | 1.96 | -1.04 |
| 4z3v | TYR476 | -0.76 | -2.04 | -2.8 | 1.20 | -1.59 |
| 4z3v | MET477 | -0.62 | -1.70 | -2.32 | 0.46 | -1.86 |
| 4z3v | LEU528 | -0.39 | -0.13 | -0.52 | 0.08 | -0.44 |
