sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.950 Å
X-ray
2008-06-05
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 8.520 | 8.520 | 8.520 | 0.000 | 8.520 | 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 | 97 % |
| K | 3 % |
| B-Factor: | 4.882 |
|---|---|
| Number of residues: | 38 |
| Including | |
| Standard Amino Acids: | 38 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.587 | 263.250 |
| % Hydrophobic | % Polar |
|---|---|
| 64.10 | 35.90 |
| According to VolSite | |
| HET Code: | LZF |
|---|---|
| Formula: | C23H23ClFN4O4S |
| Molecular weight: | 505.970 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 65.18 % |
| Polar Surface area: | 120.41 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 3 |
| Rings: | 4 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 7 |
| X | Y | Z |
|---|---|---|
| 15.2188 | 5.39947 | 28.4552 |
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 | CE1 | TYR- 99 | 3.39 | 0 | Hydrophobic |
| C34 | CG | GLU- 147 | 3.7 | 0 | Hydrophobic |
| F32 | CE2 | PHE- 174 | 3.9 | 0 | Hydrophobic |
| S3 | CB | ALA- 190 | 4.29 | 0 | Hydrophobic |
| CL1 | CB | ALA- 190 | 3.74 | 0 | Hydrophobic |
| C34 | SG | CYS- 191 | 4.08 | 0 | Hydrophobic |
| C13 | CB | GLN- 192 | 4.43 | 0 | Hydrophobic |
| C34 | CB | GLN- 192 | 4.16 | 0 | Hydrophobic |
| S3 | CG1 | VAL- 213 | 3.52 | 0 | Hydrophobic |
| CL1 | CG1 | VAL- 213 | 3.64 | 0 | Hydrophobic |
| C28 | CB | TRP- 215 | 3.63 | 0 | Hydrophobic |
| N15 | O | GLY- 216 | 3.22 | 141.91 | H-Bond (Ligand Donor) |
| F32 | CG | GLU- 217 | 3.93 | 0 | Hydrophobic |
| N7 | O | GLY- 218 | 3.39 | 172.98 | H-Bond (Ligand Donor) |
| C13 | SG | CYS- 220 | 3.8 | 0 | Hydrophobic |
| C34 | SG | CYS- 220 | 3.62 | 0 | Hydrophobic |
| CL1 | CZ | TYR- 228 | 3.64 | 0 | Hydrophobic |
