sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.900 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: | 21.974 |
|---|---|
| Number of residues: | 39 |
| Including | |
| Standard Amino Acids: | 39 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.534 | 371.250 |
| % Hydrophobic | % Polar |
|---|---|
| 40.00 | 60.00 |
| According to VolSite | |
| HET Code: | XMB |
|---|---|
| Formula: | C28H36ClN5O5S2 |
| Molecular weight: | 622.199 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 60.67 % |
| Polar Surface area: | 151.36 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 3 |
| Rings: | 5 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 2 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 9 |
| X | Y | Z |
|---|---|---|
| 6.53344 | 20.8272 | 7.74763 |
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 |
| O7 | OH | TYR- 99 | 3.33 | 174.83 | H-Bond (Protein Donor) |
| C33 | CB | TYR- 99 | 3.63 | 0 | Hydrophobic |
| C34 | CE2 | TYR- 99 | 4.4 | 0 | Hydrophobic |
| C36 | CE2 | TYR- 99 | 4.03 | 0 | Hydrophobic |
| C33 | CD2 | TYR- 99 | 3.32 | 0 | Hydrophobic |
| C33 | CB | PHE- 174 | 4.42 | 0 | Hydrophobic |
| C34 | CZ | PHE- 174 | 4.13 | 0 | Hydrophobic |
| C35 | CE1 | PHE- 174 | 3.27 | 0 | Hydrophobic |
| C20 | CB | ALA- 190 | 3.49 | 0 | Hydrophobic |
| C19 | CB | ALA- 190 | 3.25 | 0 | Hydrophobic |
| C11 | CB | CYS- 191 | 4.43 | 0 | Hydrophobic |
| C5 | CB | SER- 195 | 4.06 | 0 | Hydrophobic |
| C18 | CG1 | VAL- 213 | 3.58 | 0 | Hydrophobic |
| C14 | CB | TRP- 215 | 4.37 | 0 | Hydrophobic |
| C36 | CD2 | TRP- 215 | 3.48 | 0 | Hydrophobic |
| C41 | CE3 | TRP- 215 | 3.44 | 0 | Hydrophobic |
| O2 | N | GLY- 216 | 3.23 | 156.08 | H-Bond (Protein Donor) |
| C11 | SG | CYS- 220 | 3.44 | 0 | Hydrophobic |
| CL21 | CZ | TYR- 228 | 3.41 | 0 | Hydrophobic |
