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Leukotriene A4 Hydrolase complexed with inhibitor 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate.
Analyse Leukotriene A4 Hydrolase complexed with inhibitor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3FH7
- Type
- protein
- Length
- 607 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.05
- Source
- Homo sapiens
- Molecule
- Leukotriene A-4 hydrolase
- EC
- 3.3.2.6
- UniProt
- P09960
- Ligands
- 25P, YB, ZN
- Pockets
- 5 · best druggability 0.85
Structure
x-ray diffraction · resolution 2.05 · 1 distinct chain · 43% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Leukotriene A-4 hydrolase (EC 3.3.2.6) | protein | 607 | 43% helix, 23% strand | P09960 |
Ligands and binding sites
- 25P · 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate · ligand · chains A
- YB · Ytterbium (III) ion · metal · 3 copies · chains A
- ZN · Zinc ion · metal · chains A
- ACT · Acetate ion · additive · chains A
- IMD · Imidazole · additive · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1052 | 0.85 | 0.86 | 87 | 25P |
| 2 | 106 | 0.51 | 0.82 | 20 | empty |
| 3 | 183 | 0.48 | 0.76 | 26 | empty |
| 4 | 141 | 0.42 | 0.75 | 30 | empty |
| 5 | 78 | 0.33 | 0.75 | 14 | empty |
Compared structures
- 3FH7 · Leukotriene A4 hydrolase complexed with inhibitor 4-[(2S)-2-{[4-(4… · the same entry in another collection · chain A against A, TM-score 1.00
- P09960 · AlphaFold monomer V2.0 prediction for leukotriene a-4 hydrolase (P09960) · a predicted model of the same protein · chain A against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P09960
- Elsewhere: RCSB PDB 3FH7 · PDBe 3FH7 · UniProt P09960
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