sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.700 Å
X-ray
2007-11-16
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 9.700 | 9.700 | 9.700 | 0.000 | 9.700 | 2 |
| 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: | 29.495 |
|---|---|
| Number of residues: | 35 |
| Including | |
| Standard Amino Acids: | 33 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.270 | 290.250 |
| % Hydrophobic | % Polar |
|---|---|
| 33.72 | 66.28 |
| According to VolSite | |
| HET Code: | GSI |
|---|---|
| Formula: | C22H26ClFN5O3S2 |
| Molecular weight: | 527.055 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 56.49 % |
| Polar Surface area: | 125.36 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 2 |
| Rings: | 4 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 9 |
| X | Y | Z |
|---|---|---|
| 8.15026 | 5.03229 | 20.9869 |
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 |
| N5 | O | GLU- 97 | 3.26 | 166.48 | H-Bond (Ligand Donor) |
| F1 | CZ | TYR- 99 | 3.41 | 0 | Hydrophobic |
| CL1 | CB | ALA- 190 | 4.02 | 0 | Hydrophobic |
| S2 | CB | ALA- 190 | 4.47 | 0 | Hydrophobic |
| CL1 | CG1 | VAL- 213 | 3.63 | 0 | Hydrophobic |
| S2 | CG1 | VAL- 213 | 3.71 | 0 | Hydrophobic |
| C24 | CE3 | TRP- 215 | 3.45 | 0 | Hydrophobic |
| C22 | CB | TRP- 215 | 3.66 | 0 | Hydrophobic |
| O3 | N | GLY- 216 | 3.27 | 159.59 | H-Bond (Protein Donor) |
| CL1 | CZ | TYR- 228 | 3.59 | 0 | Hydrophobic |
