sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.850 Å
X-ray
2014-08-27
| Name: | Fibroblast growth factor receptor 4 |
|---|---|
| ID: | FGFR4_HUMAN |
| AC: | P22455 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.7.10.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 20.824 |
|---|---|
| Number of residues: | 43 |
| Including | |
| Standard Amino Acids: | 42 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.360 | 992.250 |
| % Hydrophobic | % Polar |
|---|---|
| 52.04 | 47.96 |
| According to VolSite | |
| HET Code: | 0LI |
|---|---|
| Formula: | C29H29F3N6O |
| Molecular weight: | 534.575 g/mol |
| DrugBank ID: | DB08901 |
| Buried Surface Area: | 68.62 % |
| Polar Surface area: | 68.22 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 3 |
| Rings: | 5 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 2 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 7 |
| X | Y | Z |
|---|---|---|
| 0.606359 | -3.14156 | 14.9217 |
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 | CG2 | VAL- 481 | 4.43 | 0 | Hydrophobic |
| C11 | CG1 | VAL- 481 | 3.85 | 0 | Hydrophobic |
| C3 | CG1 | VAL- 481 | 3.87 | 0 | Hydrophobic |
| C11 | CB | ALA- 501 | 4.26 | 0 | Hydrophobic |
| C3 | CB | ALA- 501 | 3.76 | 0 | Hydrophobic |
| C8 | CD | LYS- 503 | 4.35 | 0 | Hydrophobic |
| C11 | CB | LYS- 503 | 3.57 | 0 | Hydrophobic |
| N2 | OE2 | GLU- 520 | 3.43 | 121.89 | H-Bond (Ligand Donor) |
| C14 | CG | GLU- 520 | 4.05 | 0 | Hydrophobic |
| C14 | CG | MET- 524 | 4 | 0 | Hydrophobic |
| C8 | SD | MET- 524 | 3.51 | 0 | Hydrophobic |
| F2 | CD1 | ILE- 527 | 3.41 | 0 | Hydrophobic |
| C17 | CD1 | ILE- 527 | 3.77 | 0 | Hydrophobic |
| C10 | CG1 | ILE- 534 | 4.28 | 0 | Hydrophobic |
| C9 | CG2 | ILE- 534 | 4.45 | 0 | Hydrophobic |
| C18 | CG2 | ILE- 534 | 3.82 | 0 | Hydrophobic |
| F1 | CG2 | ILE- 534 | 3.58 | 0 | Hydrophobic |
| C7 | CG1 | VAL- 548 | 4.31 | 0 | Hydrophobic |
| C4 | CG2 | VAL- 550 | 3.48 | 0 | Hydrophobic |
| C11 | CG2 | VAL- 550 | 3.49 | 0 | Hydrophobic |
| C7 | CG1 | VAL- 550 | 4.01 | 0 | Hydrophobic |
| C6 | CG2 | VAL- 550 | 3.48 | 0 | Hydrophobic |
| N1 | N | ALA- 553 | 3.2 | 164.52 | H-Bond (Protein Donor) |
| F2 | CD2 | LEU- 603 | 3.78 | 0 | Hydrophobic |
| F3 | CD1 | LEU- 603 | 4.38 | 0 | Hydrophobic |
| N4 | O | ILE- 609 | 3.01 | 147.18 | H-Bond (Ligand Donor) |
| C3 | CD1 | LEU- 619 | 3.77 | 0 | Hydrophobic |
| F1 | CG2 | ILE- 628 | 4.19 | 0 | Hydrophobic |
| F3 | CG2 | ILE- 628 | 3.83 | 0 | Hydrophobic |
| O1 | N | ASP- 630 | 2.79 | 165.93 | H-Bond (Protein Donor) |
| F3 | CB | ASP- 630 | 4.03 | 0 | Hydrophobic |
| C17 | CB | ASP- 630 | 3.89 | 0 | Hydrophobic |
| C4 | CE1 | PHE- 631 | 3.78 | 0 | Hydrophobic |
