sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.220 Å
X-ray
2015-12-16
| Name: | Histone acetyltransferase KAT2B |
|---|---|
| ID: | KAT2B_HUMAN |
| AC: | Q92831 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.3.1.48 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 42.928 |
|---|---|
| Number of residues: | 17 |
| Including | |
| Standard Amino Acids: | 16 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.525 | 432.000 |
| % Hydrophobic | % Polar |
|---|---|
| 40.63 | 59.38 |
| According to VolSite | |
| HET Code: | 12Q |
|---|---|
| Formula: | C10H9NO |
| Molecular weight: | 159.185 g/mol |
| DrugBank ID: | DB04580 |
| Buried Surface Area: | 62.59 % |
| Polar Surface area: | 20.31 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 1 |
| H-Bond Donors: | 0 |
| Rings: | 2 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 0 |
| X | Y | Z |
|---|---|---|
| 21.3617 | -0.492833 | -21.2097 |
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 |
| CAH | CB | PRO- 747 | 3.94 | 0 | Hydrophobic |
| CAH | CE1 | PHE- 748 | 4.01 | 0 | Hydrophobic |
| CAH | CG2 | VAL- 752 | 4.3 | 0 | Hydrophobic |
| CAA | CG2 | VAL- 752 | 4.23 | 0 | Hydrophobic |
| CAF | CG | GLU- 756 | 4.27 | 0 | Hydrophobic |
| OAL | ND2 | ASN- 803 | 2.88 | 154.01 | H-Bond (Protein Donor) |
