sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.700 Å
X-ray
2013-01-14
| Name: | Bromodomain adjacent to zinc finger domain protein 2B |
|---|---|
| ID: | BAZ2B_HUMAN |
| AC: | Q9UIF8 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 23.613 |
|---|---|
| Number of residues: | 20 |
| Including | |
| Standard Amino Acids: | 19 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.888 | 364.500 |
| % Hydrophobic | % Polar |
|---|---|
| 53.70 | 46.30 |
| According to VolSite | |
| HET Code: | IR5 |
|---|---|
| Formula: | C23H19NO3 |
| Molecular weight: | 357.402 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 42.04 % |
| Polar Surface area: | 50.94 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 1 |
| Rings: | 4 |
| Aromatic rings: | 4 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| 29.8904 | 8.00281 | 0.787778 |
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 |
| C01 | CB | PRO- 1888 | 4.16 | 0 | Hydrophobic |
| C01 | CE1 | PHE- 1889 | 3.83 | 0 | Hydrophobic |
| C01 | CG2 | VAL- 1893 | 3.74 | 0 | Hydrophobic |
| C12 | CG1 | VAL- 1893 | 4.44 | 0 | Hydrophobic |
| C12 | CB | ASN- 1894 | 4.49 | 0 | Hydrophobic |
| O02 | N | ASN- 1894 | 2.87 | 165.34 | H-Bond (Protein Donor) |
| C12 | CD2 | LEU- 1897 | 3.94 | 0 | Hydrophobic |
| C17 | CD2 | LEU- 1897 | 3.64 | 0 | Hydrophobic |
| C12 | CG2 | VAL- 1898 | 3.83 | 0 | Hydrophobic |
| C17 | CG2 | VAL- 1898 | 4.15 | 0 | Hydrophobic |
| O01 | ND2 | ASN- 1944 | 2.99 | 169.65 | H-Bond (Protein Donor) |
| C01 | CG2 | ILE- 1950 | 4.23 | 0 | Hydrophobic |
| C07 | CD1 | ILE- 1950 | 4.41 | 0 | Hydrophobic |
