Binding information for 2ntf_ligand_frag_10.mol2(FDBF00003)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ntf_ligand_frag_10.mol2 | 2ntf | 1 | -5.51 | C(=O)N | 3 |
Structure and binding mode of 2ntf_ligand_frag_10.mol2(FDBF00003)
Important binding residues for 2ntf_ligand_frag_10.mol2(FDBF00003)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ntf | TRP33 | -0.80 | -0.05 | -0.85 | 0.08 | -0.76 |
| 2ntf | HIS35 | 1.08 | -3.55 | -2.47 | 0.73 | -1.75 |
| 2ntf | GLY95 | -0.22 | -2.28 | -2.5 | 1.04 | -1.46 |
| 2ntf | SER96 | -0.14 | -1.30 | -1.44 | 0.20 | -1.24 |
| 2ntf | ASN100A | -0.46 | -3.03 | -3.49 | 2.69 | -0.79 |
