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
2005-10-16
| Name: | Casein kinase I isoform gamma-2 |
|---|---|
| ID: | KC1G2_HUMAN |
| AC: | P78368 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| C | 100 % |
| B-Factor: | 58.830 |
|---|---|
| Number of residues: | 24 |
| Including | |
| Standard Amino Acids: | 24 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.402 | 725.625 |
| % Hydrophobic | % Polar |
|---|---|
| 57.67 | 42.33 |
| According to VolSite | |
| HET Code: | 5ID |
|---|---|
| Formula: | C11H13IN4O4 |
| Molecular weight: | 392.150 g/mol |
| DrugBank ID: | DB04604 |
| Buried Surface Area: | 53.46 % |
| Polar Surface area: | 126.65 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 4 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 45.2218 | 23.9055 | 60.0544 |
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 |
| C1' | CD2 | LEU- 60 | 4.28 | 0 | Hydrophobic |
| C5 | CD2 | LEU- 60 | 4.08 | 0 | Hydrophobic |
| IAE | CD1 | LEU- 60 | 4.38 | 0 | Hydrophobic |
| IAE | CD1 | LEU- 119 | 4.43 | 0 | Hydrophobic |
| N6 | O | GLU- 120 | 3.31 | 140.35 | H-Bond (Ligand Donor) |
| N1 | N | LEU- 122 | 3.24 | 154.5 | H-Bond (Protein Donor) |
| C5' | CB | SER- 125 | 3.38 | 0 | Hydrophobic |
| C5' | CB | GLU- 169 | 3.76 | 0 | Hydrophobic |
| C5' | CD2 | LEU- 172 | 4.36 | 0 | Hydrophobic |
| C5 | CD1 | LEU- 172 | 3.51 | 0 | Hydrophobic |
| C3' | CD2 | LEU- 172 | 3.77 | 0 | Hydrophobic |
| C5 | CD1 | ILE- 187 | 4.28 | 0 | Hydrophobic |
| IAE | CB | ILE- 187 | 4.26 | 0 | Hydrophobic |
