sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.950 Å
X-ray
2016-02-01
| Name: | Histone-lysine N-methyltransferase EZH2 |
|---|---|
| ID: | EZH2_HUMAN |
| AC: | Q15910 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.1.1.43 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 97 % |
| D | 3 % |
| B-Factor: | 78.867 |
|---|---|
| Number of residues: | 32 |
| Including | |
| Standard Amino Acids: | 32 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.294 | 1066.500 |
| % Hydrophobic | % Polar |
|---|---|
| 48.42 | 51.58 |
| According to VolSite | |
| HET Code: | SAH |
|---|---|
| Formula: | C14H20N6O5S |
| Molecular weight: | 384.411 g/mol |
| DrugBank ID: | DB01752 |
| Buried Surface Area: | 64.1 % |
| Polar Surface area: | 212.38 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 10 |
| H-Bond Donors: | 4 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 7 |
| X | Y | Z |
|---|---|---|
| 81.246 | -98.8597 | 2.64531 |
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 |
| N | O | ALA- 622 | 2.88 | 122.94 | H-Bond (Ligand Donor) |
| N | O | TRP- 624 | 3.15 | 151.98 | H-Bond (Ligand Donor) |
| O2' | O | MET- 662 | 2.91 | 146.25 | H-Bond (Ligand Donor) |
| C4' | CB | CYS- 663 | 3.88 | 0 | Hydrophobic |
| O3' | N | SER- 664 | 3.22 | 156.44 | H-Bond (Protein Donor) |
| SD | CE1 | PHE- 665 | 3.29 | 0 | Hydrophobic |
| CB | CE1 | PHE- 665 | 4.28 | 0 | Hydrophobic |
| CB | CD1 | PHE- 686 | 4.41 | 0 | Hydrophobic |
| N7 | N | HIS- 689 | 3.21 | 173.41 | H-Bond (Protein Donor) |
| N6 | O | HIS- 689 | 3.13 | 137.02 | H-Bond (Ligand Donor) |
| C5' | CE2 | TYR- 726 | 3.96 | 0 | Hydrophobic |
| C3' | CE2 | TYR- 726 | 4.45 | 0 | Hydrophobic |
| C2' | CD1 | LEU- 734 | 3.57 | 0 | Hydrophobic |
