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
2001-07-23
| 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: | 12.110 |
|---|---|
| Number of residues: | 35 |
| Including | |
| Standard Amino Acids: | 35 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.040 | 263.250 |
| % Hydrophobic | % Polar |
|---|---|
| 28.21 | 71.79 |
| According to VolSite | |
| HET Code: | XMF |
|---|---|
| Formula: | C26H30ClN4O4S |
| Molecular weight: | 530.059 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 60.22 % |
| Polar Surface area: | 103.68 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 2 |
| Rings: | 5 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| 4.99814 | 21.4672 | 7.94986 |
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 |
| O18 | OH | TYR- 99 | 3.11 | 127.25 | H-Bond (Protein Donor) |
| C29 | CE1 | TYR- 99 | 4 | 0 | Hydrophobic |
| C31 | CE2 | PHE- 174 | 3.95 | 0 | Hydrophobic |
| C26 | CB | PHE- 174 | 3.95 | 0 | Hydrophobic |
| C9 | CB | ALA- 190 | 4.24 | 0 | Hydrophobic |
| C11 | CB | ALA- 190 | 3.77 | 0 | Hydrophobic |
| C10 | CB | ALA- 190 | 3.9 | 0 | Hydrophobic |
| C11 | CG1 | VAL- 213 | 4.16 | 0 | Hydrophobic |
| C9 | CG1 | VAL- 213 | 3.46 | 0 | Hydrophobic |
| C29 | CE3 | TRP- 215 | 3.65 | 0 | Hydrophobic |
| C31 | CG | GLU- 217 | 4.49 | 0 | Hydrophobic |
| C1 | SG | CYS- 220 | 3.85 | 0 | Hydrophobic |
| CL7 | CZ | TYR- 228 | 3.34 | 0 | Hydrophobic |
