sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
3.000 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 |
|---|---|
| A | 100 % |
| B-Factor: | 75.165 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 32 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.497 | 519.750 |
| % Hydrophobic | % Polar |
|---|---|
| 64.29 | 35.71 |
| According to VolSite | |
| HET Code: | 4ST |
|---|---|
| Formula: | C28H31N4O3 |
| Molecular weight: | 471.571 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 55.73 % |
| 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 |
|---|---|---|
| 35.2 | 1.63229 | 11.3182 |
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 |
| CAK | CD1 | ILE- 428 | 3.91 | 0 | Hydrophobic |
| CAZ | CD1 | ILE- 428 | 3.75 | 0 | Hydrophobic |
| CAU | CG1 | VAL- 436 | 4.42 | 0 | Hydrophobic |
| CAC | CG2 | VAL- 436 | 3.71 | 0 | Hydrophobic |
| CAY | CG2 | VAL- 436 | 3.75 | 0 | Hydrophobic |
| CBA | CG1 | VAL- 436 | 4.02 | 0 | Hydrophobic |
| CAU | CB | ALA- 452 | 4.07 | 0 | Hydrophobic |
| CAF | CD | LYS- 454 | 3.87 | 0 | Hydrophobic |
| CAG | SD | MET- 499 | 3.86 | 0 | Hydrophobic |
| NAP | O | GLU- 500 | 2.66 | 159.06 | H-Bond (Ligand Donor) |
| CAK | CD1 | LEU- 501 | 4.3 | 0 | Hydrophobic |
| NAO | OE1 | GLU- 506 | 3.7 | 0 | Ionic (Ligand Cationic) |
| CAB | CD2 | LEU- 553 | 4.12 | 0 | Hydrophobic |
| CAN | CD2 | LEU- 553 | 4.25 | 0 | Hydrophobic |
| CBB | CD2 | LEU- 553 | 3.66 | 0 | Hydrophobic |
| CAW | CD1 | LEU- 553 | 3.37 | 0 | Hydrophobic |
| CAF | CB | ASP- 564 | 4.3 | 0 | Hydrophobic |
