MolNFT v1 · #113413 · protein
Structure of human leukotriene A4 hydrolase in complex with inhibitor DIMETHYL(2- (4-PHENOXYPHENOXY)ETHYL)AMINE
5AEN · Leukotriene a-4 hydrolase: “Structure of human leukotriene A4 hydrolase in complex with inhibitor DIMETHYL(2…”. X-ray diffraction, 3 ligands (DP8, YB, ZN), 4 pockets (best druggability 0.85). MolNFT v1 #113413 on GenesisL1: 3D…
- PDB
- 5AEN
- Type
- protein
- Length
- 608 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Leukotriene a-4 hydrolase
- EC
- 3.3.2.6
- UniProt
- P09960
- Ligands
- DP8, YB, ZN
- Pockets
- 4 · best druggability 0.85
Structure
x-ray diffraction · 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 | 608 | 43% helix, 23% strand | P09960 |
Ligands and binding sites
- DP8 · N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine · ligand · chains A
- YB · Ytterbium (III) ion · metal · 4 copies · chains A
- ZN · Zinc ion · metal · chains A
- IMD · Imidazole · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1031 | 0.85 | 0.86 | 99 | DP8, IMD |
| 2 | 234 | 0.57 | 0.79 | 36 | empty |
| 3 | 173 | 0.45 | 0.75 | 27 | empty |
| 4 | 92 | 0.36 | 0.75 | 22 | empty |
Compared structures
- 5AEN · Structure of human Leukotriene A4 hydrolase in complex with inhibitor dimethyl(2… · the same entry in another collection · chain A against A, TM-score 1.00
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 5AEN · PDBe 5AEN · UniProt P09960
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