Binding information for 2vj6_ligand_frag_12.mol2(FDBF00013)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vj6_ligand_frag_12.mol2 | 2vj6 | 1 | -5.58 | N1=CC=CC1=O | 6 |
Structure and binding mode of 2vj6_ligand_frag_12.mol2(FDBF00013)
Important binding residues for 2vj6_ligand_frag_12.mol2(FDBF00013)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vj6 | THR292 | -0.69 | -1.03 | -1.72 | 0.70 | -1.02 |
| 2vj6 | THR293 | -0.60 | -2.28 | -2.88 | 1.56 | -1.32 |
| 2vj6 | ASN294 | -0.53 | 0.01 | -0.52 | -0.23 | -0.75 |
| 2vj6 | ARG296 | -1.22 | 2.17 | 0.95 | -1.72 | -0.77 |
| 2vj6 | SER386 | -0.25 | 0.21 | -0.04 | -0.47 | -0.51 |
