MolNFT v1 · #64118 · protein
Leukotriene A4 hydrolase in complex with fragment 4-(4- FLUOROBENZOYL)PYRIDINE
3FU0 · Leukotriene a-4 hydrolase: “Leukotriene A4 hydrolase in complex with fragment 4-(4- FLUOROBENZOYL)PYRIDINE”. X-ray diffraction, 3 ligands (22F, YB, ZN), 5 pockets (best druggability 0.86). MolNFT v1 #64118 on GenesisL1: 3D…
- PDB
- 3FU0
- Type
- protein
- Length
- 607 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
- 22F, YB, ZN
- Pockets
- 5 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Leukotriene a-4 hydrolase (EC 3.3.2.6) | protein | 607 | 44% helix, 24% strand | P09960 |
Ligands and binding sites
- 22F · (4-fluorophenyl)(pyridin-4-yl)methanone · ligand · chains A
- YB · Ytterbium (III) ion · metal · 2 copies · chains A
- ZN · Zinc ion · metal · chains A
- ACT · Acetate ion · additive · chains A
- IMD · Imidazole · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 991 | 0.86 | 0.87 | 84 | 22F, ACT |
| 2 | 96 | 0.49 | 0.82 | 21 | empty |
| 3 | 183 | 0.47 | 0.76 | 27 | empty |
| 4 | 170 | 0.45 | 0.75 | 32 | empty |
| 5 | 74 | 0.34 | 0.76 | 14 | empty |
Compared structures
- 3FU0 · Leukotriene A4 hydrolase in complex with fragment 4-(4-fluorobenzoyl)pyridine · 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 3FU0 · PDBe 3FU0 · UniProt P09960
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