sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.750 Å
X-ray
2008-02-22
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 7.640 | 7.640 | 7.640 | 0.000 | 7.640 | 2 |
| Name: | Tyrosine-protein kinase Fes/Fps |
|---|---|
| ID: | FES_HUMAN |
| AC: | P07332 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.7.10.2 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 36.218 |
|---|---|
| Number of residues: | 31 |
| Including | |
| Standard Amino Acids: | 31 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.043 | 1015.875 |
| % Hydrophobic | % Polar |
|---|---|
| 40.53 | 59.47 |
| According to VolSite | |
| HET Code: | STU |
|---|---|
| Formula: | C28H27N4O3 |
| Molecular weight: | 467.539 g/mol |
| DrugBank ID: | DB02010 |
| Buried Surface Area: | 66.13 % |
| Polar Surface area: | 74.03 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 2 |
| Rings: | 8 |
| Aromatic rings: | 5 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 20.2214 | 23.38 | 21.4632 |
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 |
| C6 | CD1 | ILE- 567 | 3.99 | 0 | Hydrophobic |
| C1 | CB | ILE- 567 | 4.2 | 0 | Hydrophobic |
| C5 | CD1 | ILE- 567 | 3.64 | 0 | Hydrophobic |
| C26 | CG2 | VAL- 575 | 3.92 | 0 | Hydrophobic |
| C18 | CG1 | VAL- 575 | 4.12 | 0 | Hydrophobic |
| C18 | CG1 | VAL- 575 | 4.12 | 0 | Hydrophobic |
| C17 | CG2 | VAL- 575 | 3.94 | 0 | Hydrophobic |
| C7 | CB | ALA- 588 | 3.79 | 0 | Hydrophobic |
| C14 | CD | LYS- 590 | 3.92 | 0 | Hydrophobic |
| C13 | CE | MET- 636 | 3.75 | 0 | Hydrophobic |
| N1 | O | GLU- 637 | 2.9 | 147.52 | H-Bond (Ligand Donor) |
| C4 | CD1 | LEU- 638 | 4.1 | 0 | Hydrophobic |
| O5 | N | VAL- 639 | 2.81 | 175.93 | H-Bond (Protein Donor) |
| C24 | CB | ASP- 643 | 4.29 | 0 | Hydrophobic |
| N4 | O | ARG- 687 | 2.88 | 126.67 | H-Bond (Ligand Donor) |
| C19 | CD2 | LEU- 690 | 4.2 | 0 | Hydrophobic |
| C27 | CD2 | LEU- 690 | 4.02 | 0 | Hydrophobic |
| C5 | CD2 | LEU- 690 | 4.07 | 0 | Hydrophobic |
| C7 | CD1 | LEU- 690 | 3.3 | 0 | Hydrophobic |
| C27 | CB | SER- 700 | 4.18 | 0 | Hydrophobic |
| C27 | CB | ASP- 701 | 4.33 | 0 | Hydrophobic |
| C15 | CB | ASP- 701 | 3.66 | 0 | Hydrophobic |
