sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.850 Å
X-ray
2010-04-15
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 7.820 | 7.820 | 7.820 | 0.000 | 7.820 | 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: | 23.416 |
|---|---|
| Number of residues: | 38 |
| Including | |
| Standard Amino Acids: | 38 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.092 | 263.250 |
| % Hydrophobic | % Polar |
|---|---|
| 34.62 | 65.38 |
| According to VolSite | |
| HET Code: | RR8 |
|---|---|
| Formula: | C24H22ClFN4O5S |
| Molecular weight: | 532.972 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 63.07 % |
| 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 |
|---|---|---|
| 9.68892 | 63.779 | 3.60322 |
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 |
| F30 | CZ | TYR- 99 | 3.45 | 0 | Hydrophobic |
| C29 | CG | GLU- 147 | 3.65 | 0 | Hydrophobic |
| C31 | CB | ALA- 190 | 3.74 | 0 | Hydrophobic |
| C8 | CB | GLN- 192 | 4.18 | 0 | Hydrophobic |
| C36 | CG1 | VAL- 213 | 3.47 | 0 | Hydrophobic |
| C11 | CB | TRP- 215 | 4.14 | 0 | Hydrophobic |
| C16 | CB | TRP- 215 | 3.54 | 0 | Hydrophobic |
| N12 | O | GLY- 216 | 2.91 | 128.33 | H-Bond (Ligand Donor) |
| N14 | O | GLY- 218 | 2.9 | 152.7 | H-Bond (Ligand Donor) |
| C34 | SG | CYS- 220 | 4.37 | 0 | Hydrophobic |
| C8 | SG | CYS- 220 | 3.47 | 0 | Hydrophobic |
| CL3 | CZ | TYR- 228 | 3.48 | 0 | Hydrophobic |
