sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.300 Å
X-ray
2006-06-16
| Name: | Endoplasmin |
|---|---|
| ID: | ENPL_CANLF |
| AC: | P41148 |
| Organism: | Canis lupus familiaris |
| Reign: | Eukaryota |
| TaxID: | 9615 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 18.337 |
|---|---|
| Number of residues: | 34 |
| Including | |
| Standard Amino Acids: | 33 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.942 | 563.625 |
| % Hydrophobic | % Polar |
|---|---|
| 48.50 | 51.50 |
| According to VolSite | |
| HET Code: | N5A |
|---|---|
| Formula: | C12H18N7O4 |
| Molecular weight: | 324.316 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 53.81 % |
| Polar Surface area: | 176.05 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 8 |
| H-Bond Donors: | 5 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| -143.643 | -38.9228 | 85.3498 |
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 | OD2 | ASP- 149 | 3.21 | 172.28 | H-Bond (Ligand Donor) |
| C1' | SD | MET- 154 | 3.64 | 0 | Hydrophobic |
| N5' | O | ASN- 162 | 2.82 | 124.5 | H-Bond (Ligand Donor) |
| C4' | CB | ASN- 162 | 3.97 | 0 | Hydrophobic |
| C1' | CB | ASN- 162 | 4.27 | 0 | Hydrophobic |
| C4' | CD2 | LEU- 163 | 4.46 | 0 | Hydrophobic |
| O5' | O | HOH- 508 | 2.8 | 179.95 | H-Bond (Protein Donor) |
