sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.800 Å
X-ray
2004-12-31
| Name: | Beta-galactoside-specific lectin 4 |
|---|---|
| ID: | ML4_VISAL |
| AC: | Q6ITZ3 |
| Organism: | Viscum album |
| Reign: | Eukaryota |
| TaxID: | 3972 |
| EC Number: | 3.2.2.22 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 86.106 |
|---|---|
| Number of residues: | 18 |
| Including | |
| Standard Amino Acids: | 18 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.555 | 475.875 |
| % Hydrophobic | % Polar |
|---|---|
| 45.39 | 54.61 |
| According to VolSite | |
| HET Code: | P6C |
|---|---|
| Formula: | C10H10N5O2 |
| Molecular weight: | 232.219 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 33.21 % |
| Polar Surface area: | 117.71 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 1 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 50.574 | 46.5753 | 20.6784 |
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 |
| N13 | N | TYR- 110 | 3.07 | 152.28 | H-Bond (Protein Donor) |
| O2 | NH1 | ARG- 162 | 2.87 | 166.47 | H-Bond (Protein Donor) |
| O2 | NH2 | ARG- 162 | 3.4 | 134.19 | H-Bond (Protein Donor) |
| O2 | CZ | ARG- 162 | 3.57 | 0 | Ionic (Protein Cationic) |
| O3 | CZ | ARG- 162 | 3.15 | 0 | Ionic (Protein Cationic) |
| C4 | CD2 | LEU- 237 | 4.28 | 0 | Hydrophobic |
