sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.850 Å
X-ray
2003-09-09
| 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: | 34.614 |
|---|---|
| Number of residues: | 35 |
| Including | |
| Standard Amino Acids: | 32 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 3 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.362 | 536.625 |
| % Hydrophobic | % Polar |
|---|---|
| 35.85 | 64.15 |
| According to VolSite | |
| HET Code: | RDI |
|---|---|
| Formula: | C18H22ClO6 |
| Molecular weight: | 369.817 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 68.13 % |
| Polar Surface area: | 109.87 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 0 |
| Rings: | 3 |
| Aromatic rings: | 0 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 0 |
| X | Y | Z |
|---|---|---|
| 17.8853 | -19.6269 | 53.963 |
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 |
| C5 | CB | ASN- 107 | 3.49 | 0 | Hydrophobic |
| C14 | CB | ASP- 110 | 3.43 | 0 | Hydrophobic |
| C3 | CB | ALA- 111 | 4.08 | 0 | Hydrophobic |
| C14 | CB | ALA- 111 | 4.48 | 0 | Hydrophobic |
| C16 | CB | ALA- 111 | 3.93 | 0 | Hydrophobic |
| O6 | NZ | LYS- 114 | 2.74 | 157.23 | H-Bond (Protein Donor) |
| C15 | CD | LYS- 114 | 3.72 | 0 | Hydrophobic |
| O3 | OD2 | ASP- 149 | 2.54 | 159.08 | H-Bond (Ligand Donor) |
| O3 | OD1 | ASP- 149 | 3.34 | 120.17 | H-Bond (Ligand Donor) |
| C16 | CG1 | VAL- 152 | 3.81 | 0 | Hydrophobic |
| C8 | CE | MET- 154 | 3.5 | 0 | Hydrophobic |
| C7 | CE | MET- 154 | 3.73 | 0 | Hydrophobic |
| C18 | CG | MET- 154 | 3.9 | 0 | Hydrophobic |
| C8 | CD2 | LEU- 163 | 4.43 | 0 | Hydrophobic |
| CL1 | CD2 | LEU- 163 | 4.31 | 0 | Hydrophobic |
| CL1 | CD1 | PHE- 199 | 3.36 | 0 | Hydrophobic |
| C3 | CB | THR- 245 | 4.07 | 0 | Hydrophobic |
| C4 | CG2 | THR- 245 | 4.2 | 0 | Hydrophobic |
| O2 | OG1 | THR- 245 | 3.43 | 145.68 | H-Bond (Protein Donor) |
| C5 | CD1 | ILE- 247 | 3.62 | 0 | Hydrophobic |
