sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.800 Å
X-ray
2008-03-10
| Name: | Leukotriene A-4 hydrolase |
|---|---|
| ID: | LKHA4_HUMAN |
| AC: | P09960 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 3.3.2.6 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 16.899 |
|---|---|
| Number of residues: | 33 |
| Including | |
| Standard Amino Acids: | 32 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 1.362 | 303.750 |
| % Hydrophobic | % Polar |
|---|---|
| 73.33 | 26.67 |
| According to VolSite | |
| HET Code: | 4BG |
|---|---|
| Formula: | C15H17N2O2 |
| Molecular weight: | 257.308 g/mol |
| DrugBank ID: | DB07099 |
| Buried Surface Area: | 71.68 % |
| Polar Surface area: | 65.97 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 2 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| 27.9175 | 1.23379 | 0.786842 |
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 |
| C11 | CG | GLN- 136 | 4.2 | 0 | Hydrophobic |
| C13 | CG | GLN- 136 | 3.64 | 0 | Hydrophobic |
| C9 | CB | ALA- 137 | 3.83 | 0 | Hydrophobic |
| N19 | O | GLY- 269 | 2.88 | 150.44 | H-Bond (Ligand Donor) |
| C1 | CB | TRP- 311 | 4.29 | 0 | Hydrophobic |
| C7 | CD2 | PHE- 314 | 4.05 | 0 | Hydrophobic |
| C12 | CZ | PHE- 314 | 3.41 | 0 | Hydrophobic |
| C1 | CB | PHE- 314 | 3.4 | 0 | Hydrophobic |
| C2 | CG2 | VAL- 367 | 3.47 | 0 | Hydrophobic |
| C3 | CD2 | LEU- 369 | 4.49 | 0 | Hydrophobic |
| C1 | CD1 | LEU- 369 | 3.67 | 0 | Hydrophobic |
| C7 | CB | PRO- 374 | 4.18 | 0 | Hydrophobic |
| C10 | CB | PRO- 374 | 4.42 | 0 | Hydrophobic |
| C4 | CB | ALA- 377 | 3.54 | 0 | Hydrophobic |
| C5 | CB | TYR- 378 | 4.44 | 0 | Hydrophobic |
| C10 | CB | TYR- 378 | 4.38 | 0 | Hydrophobic |
