2.200 Å
X-ray
2009-02-26
| Name: | Poly [ADP-ribose] polymerase 15 |
|---|---|
| ID: | PAR15_HUMAN |
| AC: | Q460N3 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.4.2.30 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 29.485 |
|---|---|
| Number of residues: | 21 |
| Including | |
| Standard Amino Acids: | 21 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.105 | 425.250 |
| % Hydrophobic | % Polar |
|---|---|
| 53.17 | 46.83 |
| According to VolSite | |

| HET Code: | P34 |
|---|---|
| Formula: | C17H18N3O2 |
| Molecular weight: | 296.344 g/mol |
| DrugBank ID: | DB08348 |
| Buried Surface Area: | 49.35 % |
| Polar Surface area: | 62.64 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 3 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| -22.014 | 30.3075 | -40.2911 |
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 |
| CAI | CB | TYR- 569 | 3.53 | 0 | Hydrophobic |
| OAD | N | ALA- 571 | 3.49 | 127.77 | H-Bond (Protein Donor) |
| CAH | CB | ALA- 571 | 3.23 | 0 | Hydrophobic |
| CAE | CE2 | TYR- 576 | 3.1 | 0 | Hydrophobic |
| CAK | CE1 | TYR- 582 | 3.08 | 0 | Hydrophobic |
| CAI | CZ | TYR- 582 | 3.49 | 0 | Hydrophobic |
| CAJ | CB | TYR- 582 | 3.96 | 0 | Hydrophobic |
| CAF | CD1 | LEU- 637 | 3.71 | 0 | Hydrophobic |
| CAE | CB | LEU- 637 | 3.9 | 0 | Hydrophobic |