sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.050 Å
X-ray
2012-05-14
| Name: | Fibroblast growth factor receptor 1 |
|---|---|
| ID: | FGFR1_HUMAN |
| AC: | P11362 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 23.946 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 28 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.194 | 556.875 |
| % Hydrophobic | % Polar |
|---|---|
| 60.00 | 40.00 |
| According to VolSite | |
| HET Code: | 0S8 |
|---|---|
| Formula: | C16H20BrN7O2 |
| Molecular weight: | 422.280 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 60.78 % |
| Polar Surface area: | 113.78 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 3 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 9 |
| X | Y | Z |
|---|---|---|
| 29.3038 | 1.48069 | 22.4841 |
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 |
| C14 | CB | LEU- 484 | 4.38 | 0 | Hydrophobic |
| C23 | CD2 | LEU- 484 | 4.15 | 0 | Hydrophobic |
| C5 | CG1 | VAL- 492 | 4.27 | 0 | Hydrophobic |
| C14 | CB | VAL- 492 | 3.88 | 0 | Hydrophobic |
| C5 | CB | ALA- 512 | 3.99 | 0 | Hydrophobic |
| C1 | CD | LYS- 514 | 3.7 | 0 | Hydrophobic |
| C5 | CG2 | ILE- 545 | 4.41 | 0 | Hydrophobic |
| C1 | CG2 | VAL- 561 | 4.19 | 0 | Hydrophobic |
| C5 | CG2 | VAL- 561 | 3.66 | 0 | Hydrophobic |
| N27 | O | GLU- 562 | 2.83 | 148.25 | H-Bond (Ligand Donor) |
| BR1 | CE1 | TYR- 563 | 4.12 | 0 | Hydrophobic |
| N9 | O | ALA- 564 | 3.35 | 137.82 | H-Bond (Ligand Donor) |
| N25 | N | ALA- 564 | 3.04 | 163.64 | H-Bond (Protein Donor) |
| C18 | CD2 | LEU- 630 | 4.07 | 0 | Hydrophobic |
| C4 | CD1 | LEU- 630 | 3.59 | 0 | Hydrophobic |
| C4 | CB | ALA- 640 | 4.43 | 0 | Hydrophobic |
| C18 | CB | ALA- 640 | 4.35 | 0 | Hydrophobic |
