sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.250 Å
X-ray
2012-12-22
| Name: | Serine/threonine-protein kinase PRP4 homolog |
|---|---|
| ID: | PRP4B_HUMAN |
| AC: | Q13523 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.7.11.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 47.161 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 29 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.941 | 884.250 |
| % Hydrophobic | % Polar |
|---|---|
| 40.84 | 59.16 |
| According to VolSite | |
| HET Code: | 1EH |
|---|---|
| Formula: | C20H14ClN3O2S2 |
| Molecular weight: | 427.927 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 56.82 % |
| Polar Surface area: | 141.55 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 2 |
| Rings: | 4 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| -1.49539 | -5.30036 | 14.9785 |
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 |
| SAK | CG2 | THR- 693 | 3.88 | 0 | Hydrophobic |
| CAR | CG1 | VAL- 701 | 3.99 | 0 | Hydrophobic |
| CAX | CB | ALA- 715 | 3.63 | 0 | Hydrophobic |
| SAS | CD | LYS- 717 | 4.48 | 0 | Hydrophobic |
| OBB | NZ | LYS- 717 | 2.97 | 156.83 | H-Bond (Protein Donor) |
| CAT | CD1 | LEU- 751 | 3.8 | 0 | Hydrophobic |
| SAS | CD2 | LEU- 751 | 3.82 | 0 | Hydrophobic |
| CAT | CB | PHE- 767 | 4.13 | 0 | Hydrophobic |
| SAS | CD2 | PHE- 767 | 4.22 | 0 | Hydrophobic |
| CAY | CB | LEU- 770 | 3.93 | 0 | Hydrophobic |
| CL | CB | SER- 771 | 4.45 | 0 | Hydrophobic |
| CL | SD | MET- 772 | 4.1 | 0 | Hydrophobic |
| CAC | CB | MET- 772 | 3.82 | 0 | Hydrophobic |
| CAC | CG | GLU- 776 | 3.87 | 0 | Hydrophobic |
| NAG | OE2 | GLU- 776 | 3.15 | 120.88 | H-Bond (Ligand Donor) |
| SAK | CD1 | LEU- 822 | 4.08 | 0 | Hydrophobic |
| CAX | CG | LEU- 822 | 4.44 | 0 | Hydrophobic |
| CAV | CD1 | LEU- 822 | 3.54 | 0 | Hydrophobic |
| CAR | CG | LEU- 822 | 4.09 | 0 | Hydrophobic |
| SAS | SG | CYS- 833 | 4.22 | 0 | Hydrophobic |
