sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.500 Å
X-ray
2013-11-13
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 7.160 | 7.160 | 7.160 | 0.000 | 7.170 | 2 |
| 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: | 45.016 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.166 | 590.625 |
| % Hydrophobic | % Polar |
|---|---|
| 56.00 | 44.00 |
| According to VolSite | |
| HET Code: | 2M2 |
|---|---|
| Formula: | C20H21N7O |
| Molecular weight: | 375.427 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 61.21 % |
| Polar Surface area: | 104.55 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 3 |
| Rings: | 4 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 8 |
| X | Y | Z |
|---|---|---|
| 28.1681 | 1.6285 | 22.4096 |
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 |
| C5 | CB | LEU- 484 | 4.03 | 0 | Hydrophobic |
| C10 | CD2 | LEU- 484 | 4.24 | 0 | Hydrophobic |
| C5 | CG1 | VAL- 492 | 4.07 | 0 | Hydrophobic |
| C17 | CG1 | VAL- 492 | 3.86 | 0 | Hydrophobic |
| C23 | CB | ALA- 512 | 4.46 | 0 | Hydrophobic |
| C16 | CB | ALA- 512 | 3.94 | 0 | Hydrophobic |
| C20 | CD | LYS- 514 | 4.47 | 0 | Hydrophobic |
| C23 | CB | LYS- 514 | 3.57 | 0 | Hydrophobic |
| C22 | CB | LYS- 514 | 3.82 | 0 | Hydrophobic |
| C21 | CE | MET- 535 | 4.34 | 0 | Hydrophobic |
| C16 | CG2 | ILE- 545 | 4.15 | 0 | Hydrophobic |
| C22 | CG1 | VAL- 559 | 4.1 | 0 | Hydrophobic |
| C21 | CG1 | VAL- 561 | 4.02 | 0 | Hydrophobic |
| C23 | CG2 | VAL- 561 | 3.2 | 0 | Hydrophobic |
| N24 | O | GLU- 562 | 2.82 | 145.74 | H-Bond (Ligand Donor) |
| N12 | O | ALA- 564 | 3.05 | 131.25 | H-Bond (Ligand Donor) |
| N26 | N | ALA- 564 | 2.76 | 166.94 | H-Bond (Protein Donor) |
| C1 | CD2 | LEU- 630 | 3.96 | 0 | Hydrophobic |
| C16 | CD1 | LEU- 630 | 4.07 | 0 | Hydrophobic |
| C1 | CB | ALA- 640 | 4.09 | 0 | Hydrophobic |
