sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.000 Å
X-ray
2001-01-28
| Name: | Major urinary protein 6 |
|---|---|
| ID: | MUP6_MOUSE |
| AC: | P02762 |
| Organism: | Mus musculus |
| Reign: | Eukaryota |
| TaxID: | 10090 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 20.935 |
|---|---|
| Number of residues: | 24 |
| Including | |
| Standard Amino Acids: | 24 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 2.043 | 283.500 |
| % Hydrophobic | % Polar |
|---|---|
| 88.10 | 11.90 |
| According to VolSite | |
| HET Code: | LTL |
|---|---|
| Formula: | C8H16O2 |
| Molecular weight: | 144.211 g/mol |
| DrugBank ID: | DB03711 |
| Buried Surface Area: | 58.49 % |
| Polar Surface area: | 37.29 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 1 |
| Rings: | 0 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 23.2055 | 17.0905 | 29.5037 |
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 |
| C14 | CE2 | PHE- 56 | 4.3 | 0 | Hydrophobic |
| C22 | CD2 | LEU- 60 | 4.08 | 0 | Hydrophobic |
| C7 | CE2 | PHE- 74 | 4.16 | 0 | Hydrophobic |
| C13 | CZ | PHE- 74 | 4.35 | 0 | Hydrophobic |
| C22 | CE2 | PHE- 74 | 4.11 | 0 | Hydrophobic |
| C14 | SD | MET- 87 | 3.91 | 0 | Hydrophobic |
| C14 | CG1 | VAL- 100 | 4.13 | 0 | Hydrophobic |
| C14 | CD2 | TYR- 102 | 3.63 | 0 | Hydrophobic |
| C1 | CD2 | PHE- 108 | 3.62 | 0 | Hydrophobic |
| C1 | CB | ALA- 121 | 3.73 | 0 | Hydrophobic |
| C6 | CD1 | LEU- 123 | 4.08 | 0 | Hydrophobic |
| C13 | CD1 | LEU- 123 | 3.82 | 0 | Hydrophobic |
| O21 | OH | TYR- 138 | 2.92 | 174.43 | H-Bond (Ligand Donor) |
| C22 | CZ | TYR- 138 | 3.64 | 0 | Hydrophobic |
