sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.100 Å
X-ray
2002-09-13
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 10.230 | 10.230 | 10.230 | 0.000 | 10.230 | 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: | 33.858 |
|---|---|
| Number of residues: | 35 |
| Including | |
| Standard Amino Acids: | 34 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.149 | 276.750 |
| % Hydrophobic | % Polar |
|---|---|
| 29.27 | 70.73 |
| According to VolSite | |
| HET Code: | XLD |
|---|---|
| Formula: | C23H21Cl3N5O4S |
| Molecular weight: | 569.868 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 59.19 % |
| Polar Surface area: | 135 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 3 |
| Rings: | 4 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 8 |
| X | Y | Z |
|---|---|---|
| 7.38425 | 5.73972 | 21.9692 |
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 |
| CL3 | CE2 | TYR- 99 | 3.65 | 0 | Hydrophobic |
| C28 | CG | TYR- 99 | 3.62 | 0 | Hydrophobic |
| C31 | CB | TYR- 99 | 4.33 | 0 | Hydrophobic |
| CL2 | CD | ARG- 143 | 4.27 | 0 | Hydrophobic |
| CL2 | CG | GLU- 146 | 3.69 | 0 | Hydrophobic |
| C31 | CG | PHE- 174 | 3.69 | 0 | Hydrophobic |
| C4 | CB | ALA- 190 | 3.69 | 0 | Hydrophobic |
| CL2 | SG | CYS- 191 | 3.97 | 0 | Hydrophobic |
| CL2 | CB | GLN- 192 | 4.04 | 0 | Hydrophobic |
| CL1 | CG1 | VAL- 213 | 3.75 | 0 | Hydrophobic |
| CL3 | CB | TRP- 215 | 3.61 | 0 | Hydrophobic |
| C28 | CD2 | TRP- 215 | 3.99 | 0 | Hydrophobic |
| C31 | CE2 | TRP- 215 | 3.56 | 0 | Hydrophobic |
| O10 | N | GLY- 216 | 3.48 | 123.53 | H-Bond (Protein Donor) |
| S23 | CG | GLU- 217 | 4.3 | 0 | Hydrophobic |
| N7 | O | GLY- 218 | 2.99 | 130.26 | H-Bond (Ligand Donor) |
| O21 | N | GLY- 218 | 3.38 | 165.77 | H-Bond (Protein Donor) |
| C6 | SG | CYS- 220 | 4.33 | 0 | Hydrophobic |
| C16 | SG | CYS- 220 | 3.54 | 0 | Hydrophobic |
| CL1 | CZ | TYR- 228 | 3.4 | 0 | Hydrophobic |
