sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.700 Å
X-ray
2010-04-16
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 7.210 | 7.210 | 7.210 | 0.000 | 7.210 | 1 |
| 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: | 30.331 |
|---|---|
| Number of residues: | 38 |
| Including | |
| Standard Amino Acids: | 38 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.676 | 367.875 |
| % Hydrophobic | % Polar |
|---|---|
| 47.71 | 52.29 |
| According to VolSite | |
| HET Code: | OYJ |
|---|---|
| Formula: | C24H21ClF2N4O5S |
| Molecular weight: | 550.962 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 64.3 % |
| Polar Surface area: | 124.26 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 2 |
| Rings: | 4 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| 9.77386 | 63.9945 | 3.81549 |
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 |
| F34 | CZ | TYR- 99 | 3.54 | 0 | Hydrophobic |
| C33 | CG | GLU- 147 | 3.51 | 0 | Hydrophobic |
| C26 | CB | ALA- 190 | 3.69 | 0 | Hydrophobic |
| C9 | SG | CYS- 191 | 4.5 | 0 | Hydrophobic |
| C9 | CB | GLN- 192 | 3.94 | 0 | Hydrophobic |
| F35 | CB | VAL- 213 | 4.15 | 0 | Hydrophobic |
| CL | CG1 | VAL- 213 | 3.82 | 0 | Hydrophobic |
| C17 | CG1 | VAL- 213 | 3.88 | 0 | Hydrophobic |
| C29 | CB | TRP- 215 | 4.4 | 0 | Hydrophobic |
| C16 | CB | TRP- 215 | 3.54 | 0 | Hydrophobic |
| N14 | O | GLY- 218 | 2.89 | 142.47 | H-Bond (Ligand Donor) |
| C36 | SG | CYS- 220 | 4.33 | 0 | Hydrophobic |
| C9 | SG | CYS- 220 | 3.49 | 0 | Hydrophobic |
| CL | CZ | TYR- 228 | 3.57 | 0 | Hydrophobic |
