sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.000 Å
X-ray
2013-04-11
| Name: | M17 leucyl aminopeptidase |
|---|---|
| ID: | Q8IL11_PLAF7 |
| AC: | Q8IL11 |
| Organism: | Plasmodium falciparum |
| Reign: | Eukaryota |
| TaxID: | 36329 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| H | 100 % |
| B-Factor: | 11.038 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 26 |
| Non Standard Amino Acids: | 2 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | ZN ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.675 | 718.875 |
| % Hydrophobic | % Polar |
|---|---|
| 38.50 | 61.50 |
| According to VolSite | |
| HET Code: | 1OT |
|---|---|
| Formula: | C10H11N3O3P |
| Molecular weight: | 252.186 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 67.16 % |
| Polar Surface area: | 118.46 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 1 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 2 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 106.108 | 63.765 | 127.981 |
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 |
| C4 | CE | MET- 396 | 3.54 | 0 | Hydrophobic |
| N1 | OD1 | ASP- 399 | 2.79 | 148.3 | H-Bond (Ligand Donor) |
| C10 | CB | THR- 486 | 4.44 | 0 | Hydrophobic |
| C9 | CB | ALA- 577 | 3.74 | 0 | Hydrophobic |
| O1 | ZN | ZN- 1001 | 2.41 | 0 | Metal Acceptor |
| O1 | ZN | ZN- 1003 | 2.38 | 0 | Metal Acceptor |
| O2 | ZN | ZN- 1003 | 2.5 | 0 | Metal Acceptor |
