sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.400 Å
X-ray
2004-11-04
| Name: | SRSF protein kinase 1 |
|---|---|
| ID: | SRPK1_HUMAN |
| AC: | Q96SB4 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.7.11.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 98.908 |
|---|---|
| Number of residues: | 21 |
| Including | |
| Standard Amino Acids: | 21 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.078 | 583.875 |
| % Hydrophobic | % Polar |
|---|---|
| 46.82 | 53.18 |
| According to VolSite | |
| HET Code: | ADP |
|---|---|
| Formula: | C10H12N5O10P2 |
| Molecular weight: | 424.177 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 43.35 % |
| Polar Surface area: | 260.7 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 14 |
| H-Bond Donors: | 3 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 3 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| 27.8063 | 16.1999 | 29.954 |
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 |
| O2' | O | LEU- 86 | 3.35 | 178.92 | H-Bond (Ligand Donor) |
| O1A | OG | SER- 92 | 3.11 | 137.89 | H-Bond (Protein Donor) |
| C1' | CG2 | VAL- 94 | 4.3 | 0 | Hydrophobic |
| O1A | NZ | LYS- 109 | 3.8 | 0 | Ionic (Protein Cationic) |
| N6 | O | GLU- 166 | 3.27 | 141.49 | H-Bond (Ligand Donor) |
| N1 | N | LEU- 168 | 3.08 | 165.15 | H-Bond (Protein Donor) |
