Binding information for 2g5t_ligand_frag_0.mol2(FDBF00002)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2g5t_ligand_frag_0.mol2 | 2g5t | 1 | -6.22 | C(=O)N1CCCC1 | 7 |
Structure and binding mode of 2g5t_ligand_frag_0.mol2(FDBF00002)
Important binding residues for 2g5t_ligand_frag_0.mol2(FDBF00002)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2g5t | ARG125 | -0.25 | -5.93 | -6.18 | 5.22 | -0.97 |
| 2g5t | TYR666 | -1.29 | 0.73 | -0.56 | -0.45 | -1.00 |
| 2g5t | ASN710 | -0.52 | -4.16 | -4.68 | 2.99 | -1.68 |
