sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.980 Å
X-ray
2008-02-26
| 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: | 45.209 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 31 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.170 | 475.875 |
| % Hydrophobic | % Polar |
|---|---|
| 48.23 | 51.77 |
| According to VolSite | |
| HET Code: | STU |
|---|---|
| Formula: | C28H27N4O3 |
| Molecular weight: | 467.539 g/mol |
| DrugBank ID: | DB02010 |
| Buried Surface Area: | 66.72 % |
| 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 |
|---|---|---|
| -2.36394 | 15.7914 | 21.4707 |
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 | 3.95 | 0 | Hydrophobic |
| C1 | CB | ILE- 567 | 4.07 | 0 | Hydrophobic |
| C5 | CD1 | ILE- 567 | 3.63 | 0 | Hydrophobic |
| C26 | CG2 | VAL- 575 | 3.91 | 0 | Hydrophobic |
| C17 | CG2 | VAL- 575 | 3.81 | 0 | Hydrophobic |
| C18 | CG1 | VAL- 575 | 4.07 | 0 | Hydrophobic |
| C7 | CB | ALA- 588 | 3.73 | 0 | Hydrophobic |
| C14 | CD | LYS- 590 | 3.97 | 0 | Hydrophobic |
| C13 | CE | MET- 636 | 3.59 | 0 | Hydrophobic |
| N1 | O | GLU- 637 | 2.87 | 152.03 | H-Bond (Ligand Donor) |
| C4 | CD1 | LEU- 638 | 3.86 | 0 | Hydrophobic |
| O5 | N | VAL- 639 | 2.88 | 166.14 | H-Bond (Protein Donor) |
| C24 | CB | ASP- 643 | 4.26 | 0 | Hydrophobic |
| C27 | CD2 | LEU- 690 | 4.09 | 0 | Hydrophobic |
| C7 | CD1 | LEU- 690 | 3.36 | 0 | Hydrophobic |
| C5 | CD2 | LEU- 690 | 3.82 | 0 | Hydrophobic |
| C27 | CB | SER- 700 | 3.82 | 0 | Hydrophobic |
| C27 | CB | ASP- 701 | 4.32 | 0 | Hydrophobic |
| C15 | CB | ASP- 701 | 3.75 | 0 | Hydrophobic |
