1.750 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: | 24.986 |
|---|---|
| Number of residues: | 36 |
| Including | |
| Standard Amino Acids: | 33 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 3 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.201 | 529.875 |
| % Hydrophobic | % Polar |
|---|---|
| 43.31 | 56.69 |
| According to VolSite | |

| HET Code: | NEC |
|---|---|
| Formula: | C12H16N6O4 |
| Molecular weight: | 308.293 g/mol |
| DrugBank ID: | DB03719 |
| Buried Surface Area: | 54.96 % |
| Polar Surface area: | 148.41 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 8 |
| H-Bond Donors: | 4 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 18.973 | -17.6053 | 53.961 |
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 |
| C52 | CE | MET- 85 | 4.49 | 0 | Hydrophobic |
| N6 | OD2 | ASP- 149 | 2.87 | 161.49 | H-Bond (Ligand Donor) |
| C1' | SD | MET- 154 | 3.55 | 0 | Hydrophobic |
| N5' | O | ASN- 162 | 3.02 | 129.33 | H-Bond (Ligand Donor) |
| O2' | OD1 | ASN- 162 | 3.06 | 144.58 | H-Bond (Ligand Donor) |
| C4' | CB | ASN- 162 | 4.06 | 0 | Hydrophobic |
| C1' | CB | ASN- 162 | 4.25 | 0 | Hydrophobic |
| C4' | CD2 | LEU- 163 | 4.38 | 0 | Hydrophobic |
| C52 | CB | VAL- 197 | 3.86 | 0 | Hydrophobic |
| C52 | CE2 | TYR- 200 | 3.36 | 0 | Hydrophobic |
| N1 | O | HOH- 402 | 2.73 | 155.22 | H-Bond (Protein Donor) |
| O5' | O | HOH- 403 | 2.59 | 179.97 | H-Bond (Protein Donor) |