Binding information for 4ntj_ligand_frag_1.mol2(FDBF00100)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ntj_ligand_frag_1.mol2 | 4ntj | 1 | -5.64 | O=COCC | 5 |
Structure and binding mode of 4ntj_ligand_frag_1.mol2(FDBF00100)
Important binding residues for 4ntj_ligand_frag_1.mol2(FDBF00100)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ntj | VAL102 | -0.72 | -0.85 | -1.57 | 0.40 | -1.17 |
| 4ntj | TYR105 | -1.14 | -0.18 | -1.32 | 0.54 | -0.78 |
| 4ntj | PHE106 | -0.88 | -0.29 | -1.17 | 0.31 | -0.86 |
| 4ntj | LEU155 | -0.66 | 0.30 | -0.36 | -0.24 | -0.60 |
| 4ntj | ASN159 | -0.53 | -1.08 | -1.61 | 1.18 | -0.43 |
| 4ntj | VAL190 | -0.69 | -0.04 | -0.73 | 0.10 | -0.62 |
