sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.890 Å
X-ray
2012-05-02
| Name: | Carnitine O-palmitoyltransferase 2, mitochondrial |
|---|---|
| ID: | CPT2_RAT |
| AC: | P18886 |
| Organism: | Rattus norvegicus |
| Reign: | Eukaryota |
| TaxID: | 10116 |
| EC Number: | 2.3.1.21 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 25.777 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 2 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.845 | 1724.625 |
| % Hydrophobic | % Polar |
|---|---|
| 43.64 | 56.36 |
| According to VolSite | |
| HET Code: | L0R |
|---|---|
| Formula: | C23H26N2O3 |
| Molecular weight: | 378.464 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 44.65 % |
| Polar Surface area: | 49.85 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 0 |
| Rings: | 4 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 39.9624 | 75.25 | 64.2269 |
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 |
| C10 | CB | PHE- 176 | 3.8 | 0 | Hydrophobic |
| C10 | CD1 | LEU- 212 | 3.69 | 0 | Hydrophobic |
| C23 | CD2 | LEU- 212 | 3.45 | 0 | Hydrophobic |
| C19 | CB | ASP- 376 | 4.39 | 0 | Hydrophobic |
| C20 | CB | SER- 488 | 4.08 | 0 | Hydrophobic |
| C28 | SG | CYS- 489 | 4.3 | 0 | Hydrophobic |
| O12 | N | SER- 490 | 2.89 | 163.34 | H-Bond (Protein Donor) |
| C16 | CB | SER- 490 | 4.21 | 0 | Hydrophobic |
| C22 | CB | SER- 490 | 4.31 | 0 | Hydrophobic |
| C19 | CG2 | THR- 499 | 3.79 | 0 | Hydrophobic |
| C05 | CG2 | THR- 543 | 3.7 | 0 | Hydrophobic |
| C28 | CB | ALA- 547 | 3.46 | 0 | Hydrophobic |
| C01 | CG2 | THR- 591 | 3.57 | 0 | Hydrophobic |
