sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.800 Å
X-ray
2006-08-03
| Name: | Focal adhesion kinase 1 |
|---|---|
| ID: | FAK1_CHICK |
| AC: | Q00944 |
| Organism: | Gallus gallus |
| Reign: | Eukaryota |
| TaxID: | 9031 |
| EC Number: | 2.7.10.2 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 54.340 |
|---|---|
| Number of residues: | 31 |
| Including | |
| Standard Amino Acids: | 31 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.228 | 641.250 |
| % Hydrophobic | % Polar |
|---|---|
| 53.16 | 46.84 |
| According to VolSite | |
| HET Code: | 4ST |
|---|---|
| Formula: | C28H31N4O3 |
| Molecular weight: | 471.571 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 60.79 % |
| Polar Surface area: | 74.03 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 2 |
| Rings: | 8 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| -17.6641 | 41.4369 | 8.96674 |
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 |
| CAZ | CD1 | ILE- 428 | 4.17 | 0 | Hydrophobic |
| CAJ | CB | ILE- 428 | 3.97 | 0 | Hydrophobic |
| CAK | CD1 | ILE- 428 | 3.75 | 0 | Hydrophobic |
| CAU | CG1 | VAL- 436 | 4.48 | 0 | Hydrophobic |
| CAC | CG2 | VAL- 436 | 3.36 | 0 | Hydrophobic |
| CAY | CG2 | VAL- 436 | 3.89 | 0 | Hydrophobic |
| CBC | CG1 | VAL- 436 | 4.05 | 0 | Hydrophobic |
| CAW | CB | ALA- 452 | 4.16 | 0 | Hydrophobic |
| CAE | CD | LYS- 454 | 3.82 | 0 | Hydrophobic |
| CAG | SD | MET- 499 | 4.04 | 0 | Hydrophobic |
| NAP | O | GLU- 500 | 2.87 | 159.25 | H-Bond (Ligand Donor) |
| CAK | CD1 | LEU- 501 | 3.92 | 0 | Hydrophobic |
| OAD | N | CYS- 502 | 2.86 | 171.62 | H-Bond (Protein Donor) |
| NAO | O | ARG- 550 | 2.96 | 126.29 | H-Bond (Ligand Donor) |
| CAB | CD2 | LEU- 553 | 4.19 | 0 | Hydrophobic |
| CAN | CD2 | LEU- 553 | 4.42 | 0 | Hydrophobic |
| CAL | CD2 | LEU- 553 | 4.48 | 0 | Hydrophobic |
| CAK | CD2 | LEU- 553 | 4.07 | 0 | Hydrophobic |
| CAZ | CD2 | LEU- 553 | 3.63 | 0 | Hydrophobic |
| CAW | CD1 | LEU- 553 | 3.31 | 0 | Hydrophobic |
