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
2006-03-21
| Min | Mean | Median | Standard Deviation | Max | Count | |
|---|---|---|---|---|---|---|
| pChEMBL: | 6.280 | 6.280 | 6.280 | 0.000 | 6.280 | 1 |
| 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 |
|---|---|
| B | 100 % |
| B-Factor: | 27.575 |
|---|---|
| Number of residues: | 41 |
| Including | |
| Standard Amino Acids: | 38 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 3 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.905 | 553.500 |
| % Hydrophobic | % Polar |
|---|---|
| 41.46 | 58.54 |
| According to VolSite | |
| HET Code: | RDA |
|---|---|
| Formula: | C18H18ClNO8 |
| Molecular weight: | 411.790 g/mol |
| DrugBank ID: | DB08464 |
| Buried Surface Area: | 63.28 % |
| Polar Surface area: | 145.55 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 8 |
| H-Bond Donors: | 5 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 7 |
| X | Y | Z |
|---|---|---|
| -142.361 | -38.1227 | 89.1257 |
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 |
| C16 | CE | MET- 85 | 4.28 | 0 | Hydrophobic |
| C1 | CB | ASN- 107 | 3.4 | 0 | Hydrophobic |
| C4 | CB | ALA- 111 | 4.02 | 0 | Hydrophobic |
| O2 | OD1 | ASP- 149 | 3.42 | 124.35 | H-Bond (Ligand Donor) |
| O2 | OD2 | ASP- 149 | 2.62 | 174.37 | H-Bond (Ligand Donor) |
| C7 | CG1 | VAL- 152 | 4.49 | 0 | Hydrophobic |
| C7 | CG | MET- 154 | 3.56 | 0 | Hydrophobic |
| C9 | CE | MET- 154 | 3.84 | 0 | Hydrophobic |
| C16 | CG1 | ILE- 166 | 3.24 | 0 | Hydrophobic |
| C16 | CG1 | VAL- 197 | 3.71 | 0 | Hydrophobic |
| CL | CD1 | PHE- 199 | 3.35 | 0 | Hydrophobic |
| O3 | OG1 | THR- 245 | 3.43 | 142.7 | H-Bond (Protein Donor) |
| C4 | CB | THR- 245 | 4.16 | 0 | Hydrophobic |
| C3 | CG2 | THR- 245 | 4.32 | 0 | Hydrophobic |
| C2 | CD1 | ILE- 247 | 3.72 | 0 | Hydrophobic |
| O8 | O | HOH- 1008 | 3.38 | 151.91 | H-Bond (Protein Donor) |
