sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.600 Å
X-ray
2007-06-19
| Name: | Glutamine synthetase |
|---|---|
| ID: | GLNA_HUMAN |
| AC: | P15104 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 6.3.1.2 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| D | 15 % |
| E | 85 % |
| B-Factor: | 40.881 |
|---|---|
| Number of residues: | 42 |
| Including | |
| Standard Amino Acids: | 38 |
| Non Standard Amino Acids: | 4 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | MN MN MN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.516 | 1009.125 |
| % Hydrophobic | % Polar |
|---|---|
| 38.46 | 61.54 |
| According to VolSite | |
| HET Code: | ADP |
|---|---|
| Formula: | C10H12N5O10P2 |
| Molecular weight: | 424.177 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 65.63 % |
| 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 |
|---|---|---|
| -87.9456 | 0.557519 | -27.9732 |
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 |
| C3' | CB | ALA- 191 | 4.29 | 0 | Hydrophobic |
| C3' | CB | GLN- 205 | 4.1 | 0 | Hydrophobic |
| C1' | CG | PRO- 208 | 4.42 | 0 | Hydrophobic |
| C4' | CB | ASN- 255 | 4.42 | 0 | Hydrophobic |
| C1' | CB | ASN- 255 | 4.38 | 0 | Hydrophobic |
| N6 | OG | SER- 257 | 3.3 | 140.92 | H-Bond (Ligand Donor) |
| N1 | OG | SER- 257 | 3.09 | 150.03 | H-Bond (Protein Donor) |
| O1B | NH2 | ARG- 324 | 3 | 168.21 | H-Bond (Protein Donor) |
| O2B | NH1 | ARG- 324 | 3.41 | 161.09 | H-Bond (Protein Donor) |
| O1B | CZ | ARG- 324 | 3.72 | 0 | Ionic (Protein Cationic) |
| O2B | MN | MN- 402 | 2.1 | 0 | Metal Acceptor |
| O3B | MN | MN- 403 | 2.03 | 0 | Metal Acceptor |
| O2A | MN | MN- 403 | 2.28 | 0 | Metal Acceptor |
