sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.580 Å
X-ray
2009-01-14
| 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: | 13.946 |
|---|---|
| Number of residues: | 38 |
| Including | |
| Standard Amino Acids: | 37 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.342 | 2146.500 |
| % Hydrophobic | % Polar |
|---|---|
| 38.36 | 61.64 |
| According to VolSite | |
| HET Code: | 798 |
|---|---|
| Formula: | C22H22NO2S |
| Molecular weight: | 364.481 g/mol |
| DrugBank ID: | DB07237 |
| Buried Surface Area: | 79.34 % |
| Polar Surface area: | 71.14 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 1 |
| Rings: | 4 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| -26.9874 | -1.6315 | 1.62135 |
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 |
| N23 | OE1 | GLN- 134 | 2.79 | 159.63 | H-Bond (Ligand Donor) |
| C21 | CG | GLN- 136 | 4.44 | 0 | Hydrophobic |
| C2 | CG | GLN- 136 | 3.66 | 0 | Hydrophobic |
| N23 | OE1 | GLN- 136 | 2.82 | 162.53 | H-Bond (Ligand Donor) |
| C6 | CB | ALA- 137 | 3.74 | 0 | Hydrophobic |
| C21 | CZ | TYR- 267 | 3.51 | 0 | Hydrophobic |
| C25 | CG | TYR- 267 | 3.9 | 0 | Hydrophobic |
| C26 | CD1 | TYR- 267 | 3.61 | 0 | Hydrophobic |
| C10 | CB | TRP- 311 | 4.2 | 0 | Hydrophobic |
| C2 | CZ | PHE- 314 | 3.29 | 0 | Hydrophobic |
| C11 | CB | PHE- 314 | 3.42 | 0 | Hydrophobic |
| S17 | CG1 | VAL- 367 | 3.53 | 0 | Hydrophobic |
| C11 | CG2 | VAL- 367 | 3.85 | 0 | Hydrophobic |
| C10 | CD1 | LEU- 369 | 3.73 | 0 | Hydrophobic |
| C5 | CB | PRO- 374 | 4.1 | 0 | Hydrophobic |
| C13 | CB | ALA- 377 | 3.88 | 0 | Hydrophobic |
| C14 | CB | TYR- 378 | 4.05 | 0 | Hydrophobic |
| C21 | CE1 | TYR- 378 | 4.31 | 0 | Hydrophobic |
| C26 | CZ | TYR- 378 | 3.5 | 0 | Hydrophobic |
| C5 | CB | TYR- 378 | 4.07 | 0 | Hydrophobic |
| S17 | CG1 | VAL- 381 | 4.12 | 0 | Hydrophobic |
| S17 | CB | PRO- 382 | 4.06 | 0 | Hydrophobic |
| C12 | CG | PRO- 382 | 4.19 | 0 | Hydrophobic |
