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
2003-07-23
| Name: | Sulfotransferase family cytosolic 2B member 1 |
|---|---|
| ID: | ST2B1_HUMAN |
| AC: | O00204 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.8.2.2 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 38.240 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.440 | 1005.750 |
| % Hydrophobic | % Polar |
|---|---|
| 59.40 | 40.60 |
| According to VolSite | |
| HET Code: | PLO |
|---|---|
| Formula: | C21H32O2 |
| Molecular weight: | 316.478 g/mol |
| DrugBank ID: | DB02789 |
| Buried Surface Area: | 58.02 % |
| Polar Surface area: | 37.29 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 1 |
| Rings: | 4 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| 13.4469 | 13.6817 | 30.3673 |
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 | CD1 | ILE- 20 | 3.83 | 0 | Hydrophobic |
| C11 | CD1 | LEU- 43 | 4.44 | 0 | Hydrophobic |
| C18 | CD2 | LEU- 43 | 3.79 | 0 | Hydrophobic |
| C19 | CD1 | LEU- 43 | 3.78 | 0 | Hydrophobic |
| C1 | CZ | TYR- 44 | 4.46 | 0 | Hydrophobic |
| C7 | CB | TRP- 98 | 4.27 | 0 | Hydrophobic |
| C14 | CB | TRP- 98 | 4.2 | 0 | Hydrophobic |
| C15 | CD2 | TRP- 98 | 3.83 | 0 | Hydrophobic |
| C16 | CE2 | TRP- 98 | 4 | 0 | Hydrophobic |
| C1 | CE2 | TRP- 103 | 4.28 | 0 | Hydrophobic |
| C4 | CZ2 | TRP- 103 | 4.23 | 0 | Hydrophobic |
| C3 | CZ2 | TRP- 103 | 3.4 | 0 | Hydrophobic |
| C1 | CG2 | THR- 106 | 4.45 | 0 | Hydrophobic |
| C11 | CG2 | THR- 106 | 3.73 | 0 | Hydrophobic |
| C21 | CB | VAL- 108 | 3.56 | 0 | Hydrophobic |
| O3 | NE2 | HIS- 125 | 2.71 | 164.13 | H-Bond (Ligand Donor) |
| C7 | CE1 | TYR- 257 | 3.66 | 0 | Hydrophobic |
| C7 | CD1 | LEU- 260 | 4.36 | 0 | Hydrophobic |
| C15 | CD2 | LEU- 260 | 3.72 | 0 | Hydrophobic |
| C18 | CD2 | LEU- 264 | 3.97 | 0 | Hydrophobic |
| C4 | CE1 | PHE- 272 | 4.07 | 0 | Hydrophobic |
