sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.100 Å
X-ray
2006-04-03
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 8.220 | 8.220 | 8.220 | 0.000 | 8.220 | 4 |
| 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: | 36.597 |
|---|---|
| Number of residues: | 34 |
| Including | |
| Standard Amino Acids: | 34 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.165 | 293.625 |
| % Hydrophobic | % Polar |
|---|---|
| 29.89 | 70.11 |
| According to VolSite | |
| HET Code: | GSK |
|---|---|
| Formula: | C21H24ClN3O5S |
| Molecular weight: | 465.950 g/mol |
| DrugBank ID: | DB07847 |
| Buried Surface Area: | 61.98 % |
| Polar Surface area: | 104.4 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 |
|---|---|---|
| 8.32258 | 5.91226 | 21.8965 |
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 | CB | TYR- 99 | 4.44 | 0 | Hydrophobic |
| C22 | CD1 | TYR- 99 | 4.33 | 0 | Hydrophobic |
| C17 | CE2 | PHE- 174 | 3.62 | 0 | Hydrophobic |
| C20 | CD1 | PHE- 174 | 4.43 | 0 | Hydrophobic |
| C2 | CB | ALA- 190 | 4.08 | 0 | Hydrophobic |
| CL1 | CB | ALA- 190 | 3.86 | 0 | Hydrophobic |
| C10 | CG1 | VAL- 213 | 3.67 | 0 | Hydrophobic |
| C17 | CE3 | TRP- 215 | 3.83 | 0 | Hydrophobic |
| C20 | CD2 | TRP- 215 | 3.76 | 0 | Hydrophobic |
| O3 | N | GLY- 216 | 3.4 | 163.31 | H-Bond (Protein Donor) |
| C17 | CG | GLU- 217 | 4.35 | 0 | Hydrophobic |
| C3 | SG | CYS- 220 | 4.47 | 0 | Hydrophobic |
| C5 | SG | CYS- 220 | 3.83 | 0 | Hydrophobic |
| CL1 | CZ | TYR- 228 | 3.53 | 0 | Hydrophobic |
