Binding information for 4d1c_ligand_frag_0.mol2(FDBF00537)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4d1c_ligand_frag_0.mol2 | 4d1c | 1 | -6.18 | N1=CC(=O)NC1=O | 7 |
Structure and binding mode of 4d1c_ligand_frag_0.mol2(FDBF00537)
Important binding residues for 4d1c_ligand_frag_0.mol2(FDBF00537)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4d1c | TRP117 | -2.62 | -1.40 | -4.02 | 0.74 | -3.28 |
| 4d1c | GLN121 | -0.41 | -1.77 | -2.18 | 1.05 | -1.14 |
| 4d1c | TRP220 | -1.60 | -0.49 | -2.09 | 0.37 | -1.72 |
| 4d1c | ALA222 | -0.28 | -0.84 | -1.12 | 0.55 | -0.58 |
| 4d1c | VAL223 | -0.47 | -0.65 | -1.12 | 0.44 | -0.68 |
| 4d1c | ASN318 | -0.40 | -6.12 | -6.52 | 3.18 | -3.34 |
