Binding information for 4xmb_ligand_frag_8.mol2(FDBF00003)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4xmb_ligand_frag_8.mol2 | 4xmb | 1 | -5.51 | C(=O)N | 3 |
Structure and binding mode of 4xmb_ligand_frag_8.mol2(FDBF00003)
Important binding residues for 4xmb_ligand_frag_8.mol2(FDBF00003)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4xmb | SER363 | -0.41 | -2.32 | -2.73 | 0.87 | -1.86 |
| 4xmb | GLY364 | -0.37 | -0.27 | -0.64 | -0.04 | -0.68 |
| 4xmb | ARG380 | -1.24 | 0.27 | -0.97 | 0.14 | -0.83 |
| 4xmb | ASN414 | 0.19 | -5.73 | -5.54 | 2.89 | -2.65 |
| 4xmb | ARG415 | 0.03 | -9.33 | -9.3 | 6.61 | -2.70 |
