sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Å
NMR
2012-08-15
| Name: | Eukaryotic translation initiation factor 4E type 3 |
|---|---|
| ID: | IF4E3_MOUSE |
| AC: | Q9DBB5 |
| Organism: | Mus musculus |
| Reign: | Eukaryota |
| TaxID: | 10090 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 0.000 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 28 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.860 | 891.000 |
| % Hydrophobic | % Polar |
|---|---|
| 49.62 | 50.38 |
| According to VolSite | |
| HET Code: | M7G |
|---|---|
| Formula: | C11H16N5O11P2 |
| Molecular weight: | 456.219 g/mol |
| DrugBank ID: | DB01960 |
| Buried Surface Area: | 40.26 % |
| Polar Surface area: | 265.04 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 15 |
| H-Bond Donors: | 4 |
| Rings: | 3 |
| Aromatic rings: | 0 |
| Anionic atoms: | 3 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| 7.1381 | 31.3854 | -10.8279 |
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 |
| C2' | CH2 | TRP- 98 | 3.66 | 0 | Hydrophobic |
| CM7 | CE2 | TRP- 98 | 3.97 | 0 | Hydrophobic |
| O1A | CZ | ARG- 152 | 3.42 | 0 | Ionic (Protein Cationic) |
| C2' | CB | ALA- 199 | 4.18 | 0 | Hydrophobic |
| N2 | OE2 | GLU- 201 | 2.92 | 166.63 | H-Bond (Ligand Donor) |
