sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.010 Å
X-ray
2006-08-18
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 7.820 | 7.820 | 7.820 | 0.000 | 7.820 | 2 |
| Name: | Coagulation factor X |
|---|---|
| ID: | FA10_HUMAN |
| AC: | P00742 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 3.4.21.6 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 28.869 |
|---|---|
| Number of residues: | 35 |
| Including | |
| Standard Amino Acids: | 34 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.196 | 239.625 |
| % Hydrophobic | % Polar |
|---|---|
| 35.21 | 64.79 |
| According to VolSite | |
| HET Code: | GS6 |
|---|---|
| Formula: | C19H22ClN3O5S2 |
| Molecular weight: | 471.978 g/mol |
| DrugBank ID: | DB07844 |
| Buried Surface Area: | 61.85 % |
| Polar Surface area: | 132.63 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 1 |
| Rings: | 4 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| 8.25783 | 5.8856 | 22.1795 |
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 |
| C20 | CD1 | TYR- 99 | 3.59 | 0 | Hydrophobic |
| C22 | CB | TYR- 99 | 3.7 | 0 | Hydrophobic |
| C17 | CE2 | PHE- 174 | 3.86 | 0 | Hydrophobic |
| C10 | CB | ALA- 190 | 4 | 0 | Hydrophobic |
| C1 | CB | ALA- 190 | 3.89 | 0 | Hydrophobic |
| C2 | CG1 | VAL- 213 | 3.77 | 0 | Hydrophobic |
| C17 | CE3 | TRP- 215 | 3.8 | 0 | Hydrophobic |
| C22 | CD2 | TRP- 215 | 3.89 | 0 | Hydrophobic |
| O3 | N | GLY- 216 | 3.32 | 162.93 | H-Bond (Protein Donor) |
| C17 | CG | GLU- 217 | 4.12 | 0 | Hydrophobic |
| C9 | SG | CYS- 220 | 4.5 | 0 | Hydrophobic |
| CL | CZ | TYR- 228 | 3.71 | 0 | Hydrophobic |
