MolNFT v1 · #127690 · protein
Crystal structure of LTA4H bound to a selective inhibitor against LTB4 generation
5N3W · Leukotriene a-4 hydrolase: “Crystal structure of LTA4H bound to a selective inhibitor against LTB4 generation”. X-ray diffraction, 3 ligands (8KW, ZN, YB), 6 pockets (best druggability 0.85). MolNFT v1 #127690 on GenesisL1: 3D…
- PDB
- 5N3W
- Type
- protein
- Length
- 606 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
- 8KW, ZN, YB
- Pockets
- 6 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Leukotriene a-4 hydrolase (EC 3.3.2.6) | protein | 606 | 42% helix, 23% strand | P09960 |
Ligands and binding sites
- 8KW · 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol · ligand · chains A
- ZN · Zinc ion · metal · chains A
- YB · Ytterbium (III) ion · metal · chains A
- IMD · Imidazole · additive · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1022 | 0.85 | 0.86 | 86 | 8KW, ACT |
| 2 | 123 | 0.53 | 0.82 | 25 | empty |
| 3 | 199 | 0.48 | 0.75 | 24 | empty |
| 4 | 118 | 0.43 | 0.77 | 27 | empty |
| 5 | 53 | 0.36 | 0.80 | 16 | IMD |
Compared structures
- 5N3W · Crystal structure of LTA4H bound to a selective inhibitor against LTB4 generation · 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 5N3W · PDBe 5N3W · UniProt P09960
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