sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.960 Å
X-ray
2008-06-26
| 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 | 97 % |
| B | 3 % |
| B-Factor: | 27.328 |
|---|---|
| Number of residues: | 38 |
| Including | |
| Standard Amino Acids: | 38 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.227 | 239.625 |
| % Hydrophobic | % Polar |
|---|---|
| 59.15 | 40.85 |
| According to VolSite | |
| HET Code: | LZI |
|---|---|
| Formula: | C27H28ClFN5O4S |
| Molecular weight: | 573.059 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 57.76 % |
| Polar Surface area: | 140.29 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 4 |
| Rings: | 5 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 9 |
| X | Y | Z |
|---|---|---|
| 15.3302 | 5.09685 | 27.5036 |
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 |
| C26 | CG | LYS- 148 | 4.4 | 0 | Hydrophobic |
| F39 | CE2 | PHE- 174 | 3.66 | 0 | Hydrophobic |
| C11 | CE2 | PHE- 174 | 3.5 | 0 | Hydrophobic |
| S4 | CB | ALA- 190 | 4.35 | 0 | Hydrophobic |
| CL3 | CB | ALA- 190 | 3.77 | 0 | Hydrophobic |
| C20 | CB | GLN- 192 | 4.36 | 0 | Hydrophobic |
| S4 | CG1 | VAL- 213 | 3.37 | 0 | Hydrophobic |
| CL3 | CG1 | VAL- 213 | 3.62 | 0 | Hydrophobic |
| F39 | CE3 | TRP- 215 | 4.33 | 0 | Hydrophobic |
| C34 | CB | TRP- 215 | 3.79 | 0 | Hydrophobic |
| N15 | O | GLY- 216 | 3.02 | 148.58 | H-Bond (Ligand Donor) |
| F39 | CG | GLU- 217 | 3.54 | 0 | Hydrophobic |
| N13 | O | GLY- 218 | 3.08 | 156.38 | H-Bond (Ligand Donor) |
| C20 | SG | CYS- 220 | 3.53 | 0 | Hydrophobic |
| CL3 | CZ | TYR- 228 | 3.58 | 0 | Hydrophobic |
