sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.310 Å
X-ray
2015-09-14
| Name: | Transcriptional enhancer factor TEF-4 |
|---|---|
| ID: | TEAD2_HUMAN |
| AC: | Q15562 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 29.444 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.899 | 587.250 |
| % Hydrophobic | % Polar |
|---|---|
| 77.59 | 22.41 |
| According to VolSite | |
| HET Code: | FLF |
|---|---|
| Formula: | C14H9F3NO2 |
| Molecular weight: | 280.222 g/mol |
| DrugBank ID: | DB02266 |
| Buried Surface Area: | 68.6 % |
| Polar Surface area: | 52.16 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 1 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 42.688 | 24.4002 | -18.4876 |
Image generated by PoseView
Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand
| Ligand | Protein | Interaction | |||
|---|---|---|---|---|---|
| Atom | Atom | Residue | Distance (Å) | Angle (°) | Type |
| F1 | CZ | PHE- 233 | 4.41 | 0 | Hydrophobic |
| F3 | CZ | PHE- 233 | 4.21 | 0 | Hydrophobic |
| C7' | CB | ALA- 235 | 4.24 | 0 | Hydrophobic |
| F1 | CG2 | VAL- 252 | 4.24 | 0 | Hydrophobic |
| F3 | CG2 | VAL- 252 | 3.93 | 0 | Hydrophobic |
| F1 | CG2 | VAL- 329 | 4.29 | 0 | Hydrophobic |
| C2' | CG2 | VAL- 329 | 4.01 | 0 | Hydrophobic |
| C6' | CB | SER- 345 | 4.03 | 0 | Hydrophobic |
| C5 | CB | SER- 345 | 3.31 | 0 | Hydrophobic |
| C4 | CG2 | VAL- 347 | 3.48 | 0 | Hydrophobic |
| C3 | CG1 | VAL- 355 | 3.79 | 0 | Hydrophobic |
| C1 | CD | LYS- 357 | 4.17 | 0 | Hydrophobic |
| C3 | CB | LYS- 357 | 3.91 | 0 | Hydrophobic |
| O1 | NZ | LYS- 357 | 3.6 | 0 | Ionic (Protein Cationic) |
| O2 | NZ | LYS- 357 | 3.06 | 0 | Ionic (Protein Cationic) |
| O2 | NZ | LYS- 357 | 3.06 | 150.95 | H-Bond (Protein Donor) |
| O1 | N | CYS- 380 | 2.56 | 153.31 | H-Bond (Protein Donor) |
| O2 | N | CYS- 380 | 3.48 | 150.36 | H-Bond (Protein Donor) |
| C2 | SG | CYS- 380 | 3.87 | 0 | Hydrophobic |
| F2 | CD1 | LEU- 383 | 3.73 | 0 | Hydrophobic |
| C6 | CD1 | LEU- 383 | 4.17 | 0 | Hydrophobic |
| C2' | CD1 | LEU- 383 | 3.67 | 0 | Hydrophobic |
| C5' | CG2 | ILE- 408 | 3.72 | 0 | Hydrophobic |
| C3' | CD1 | ILE- 408 | 3.62 | 0 | Hydrophobic |
| F3 | CZ | PHE- 428 | 3.48 | 0 | Hydrophobic |
