sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.390 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: | 23.641 |
|---|---|
| Number of residues: | 41 |
| Including | |
| Standard Amino Acids: | 40 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.431 | 1944.000 |
| % Hydrophobic | % Polar |
|---|---|
| 39.06 | 60.94 |
| According to VolSite | |
| HET Code: | 52D |
|---|---|
| Formula: | C18H21N2O2 |
| Molecular weight: | 297.372 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 76.19 % |
| Polar Surface area: | 43.63 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 1 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| -27.7503 | -1.33268 | 0.950455 |
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 |
| C16 | CG | GLN- 136 | 3.34 | 0 | Hydrophobic |
| C2 | CG | GLN- 136 | 3.87 | 0 | Hydrophobic |
| N23 | OE1 | GLN- 136 | 3.08 | 164.46 | H-Bond (Ligand Donor) |
| C2 | CB | ALA- 137 | 3.73 | 0 | Hydrophobic |
| C3 | CB | ALA- 137 | 3.83 | 0 | Hydrophobic |
| C21 | CD1 | TYR- 267 | 3.67 | 0 | Hydrophobic |
| C20 | CG | TYR- 267 | 3.6 | 0 | Hydrophobic |
| C20 | SD | MET- 270 | 3.56 | 0 | Hydrophobic |
| C1 | CB | PHE- 314 | 4.45 | 0 | Hydrophobic |
| C9 | CD2 | PHE- 314 | 3.44 | 0 | Hydrophobic |
| C1 | CE1 | PHE- 314 | 3.47 | 0 | Hydrophobic |
| C10 | CB | PHE- 314 | 3.35 | 0 | Hydrophobic |
| C10 | CG2 | VAL- 367 | 4.04 | 0 | Hydrophobic |
| C5 | CB | PRO- 374 | 3.46 | 0 | Hydrophobic |
| C14 | CB | ALA- 377 | 4.12 | 0 | Hydrophobic |
| C21 | CZ | TYR- 378 | 4.22 | 0 | Hydrophobic |
| C4 | CB | TYR- 378 | 3.75 | 0 | Hydrophobic |
