MolNFT v1 · #80867 · protein
Structure of human leukotriene A4 hydrolase in complex with inhibitor SC57461A
3U9W · Leukotriene a-4 hydrolase: “Structure of human leukotriene A4 hydrolase in complex with inhibitor SC57461A”. X-ray diffraction, 4 ligands (28P, YB, ZN), 4 pockets (best druggability 0.85). MolNFT v1 #80867 on GenesisL1: 3D…
- PDB
- 3U9W
- 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
- 28P, YB, ZN, CL
- Pockets
- 4 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Leukotriene a-4 hydrolase (EC 3.3.2.6) | protein | 608 | 44% helix, 23% strand | P09960 |
Ligands and binding sites
- 28P · N-[3-(4-benzylphenoxy)propyl]-N-methyl-beta-alanine · ligand · chains A
- YB · Ytterbium (III) ion · metal · 8 copies · chains A
- ZN · Zinc ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- IMD · Imidazole · additive · 3 copies · chains A
- GOL · Glycerol · 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
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1116 | 0.85 | 0.86 | 97 | IMD, 28P |
| 2 | 213 | 0.53 | 0.77 | 28 | empty |
| 3 | 105 | 0.52 | 0.83 | 19 | empty |
| 4 | 130 | 0.42 | 0.76 | 27 | empty |
Compared structures
- 3U9W · Structure of human Leukotriene A4 hydrolase in complex with inhibitor sc57461A · 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 3U9W · PDBe 3U9W · UniProt P09960
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