sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.700 Å
X-ray
2007-07-27
| Name: | 5'-AMP-activated protein kinase subunit gamma |
|---|---|
| ID: | AAKG_SCHPO |
| AC: | Q10343 |
| Organism: | Schizosaccharomyces pombe |
| Reign: | Eukaryota |
| TaxID: | 284812 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 23 % |
| G | 77 % |
| B-Factor: | 53.246 |
|---|---|
| Number of residues: | 30 |
| Including | |
| Standard Amino Acids: | 30 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.000 | 1414.125 |
| % Hydrophobic | % Polar |
|---|---|
| 37.47 | 62.53 |
| According to VolSite | |
| HET Code: | ADP |
|---|---|
| Formula: | C10H12N5O10P2 |
| Molecular weight: | 424.177 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 64.89 % |
| 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 |
|---|---|---|
| -7.7003 | -3.60019 | 28.1623 |
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 |
| N6 | O | ILE- 35 | 3.07 | 168.21 | H-Bond (Ligand Donor) |
| N1 | N | ILE- 35 | 2.87 | 152.55 | H-Bond (Protein Donor) |
| C1' | CG2 | ILE- 55 | 4.31 | 0 | Hydrophobic |
| O2A | CZ | ARG- 142 | 3.62 | 0 | Ionic (Protein Cationic) |
| O2B | OG1 | THR- 162 | 2.93 | 178.31 | H-Bond (Protein Donor) |
| O1B | NH1 | ARG- 165 | 2.79 | 121.39 | H-Bond (Protein Donor) |
| O1B | CZ | ARG- 165 | 3.71 | 0 | Ionic (Protein Cationic) |
| O2B | CZ | ARG- 165 | 3.83 | 0 | Ionic (Protein Cationic) |
| O3' | OD1 | ASP- 250 | 2.89 | 154.36 | H-Bond (Ligand Donor) |
| C1' | CG | GLN- 251 | 3.52 | 0 | Hydrophobic |
| O3' | N | SER- 252 | 3.47 | 129.07 | H-Bond (Protein Donor) |
| C2' | CB | SER- 252 | 4.27 | 0 | Hydrophobic |
| O1B | CZ | ARG- 287 | 3.45 | 0 | Ionic (Protein Cationic) |
| O1A | CZ | ARG- 287 | 3.89 | 0 | Ionic (Protein Cationic) |
| O1A | NH1 | ARG- 287 | 3.15 | 155.08 | H-Bond (Protein Donor) |
| O3B | NE2 | HIS- 289 | 3.3 | 153.8 | H-Bond (Protein Donor) |
