Binding information for 2p59_ligand_frag_0.mol2(FDBF03355)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2p59_ligand_frag_0.mol2 | 2p59 | 1 | -5.60 | [C@H]12[C@H](CCCC1)N(CC2)C=O | 11 |
Structure and binding mode of 2p59_ligand_frag_0.mol2(FDBF03355)
Important binding residues for 2p59_ligand_frag_0.mol2(FDBF03355)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2p59 | HIS1083 | -1.15 | 0.42 | -0.73 | 0.36 | -0.37 |
| 2p59 | ALA1182 | -0.81 | -1.26 | -2.07 | 0.80 | -1.28 |
| 2p59 | ALA1183 | -0.58 | -1.25 | -1.83 | 1.02 | -0.80 |
