MolNFT v1 · #173290 · protein
LTA4 hydrolase in complex with compound LYS006
7AUZ · Leukotriene a-4 hydrolase: “LTA4 hydrolase in complex with compound LYS006”. X-ray diffraction, 3 ligands (RZE, YB, ZN), 5 pockets (best druggability 0.86). MolNFT v1 #173290 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7AUZ
- 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
- RZE, YB, ZN
- Pockets
- 5 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Leukotriene a-4 hydrolase (EC 3.3.2.6) | protein | 607 | 43% helix, 24% strand | P09960 |
Ligands and binding sites
- RZE · (3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid · ligand · chains A
- YB · Ytterbium (III) ion · metal · 3 copies · chains A
- ZN · Zinc ion · metal · chains A
- IMD · Imidazole · additive · 2 copies · chains A
- ACT · Acetate ion · 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 | 1079 | 0.86 | 0.87 | 93 | IMD, RZE |
| 2 | 108 | 0.50 | 0.81 | 20 | empty |
| 3 | 133 | 0.46 | 0.77 | 23 | empty |
| 4 | 92 | 0.37 | 0.76 | 21 | empty |
| 5 | 67 | 0.34 | 0.76 | 17 | empty |
Compared structures
- 7AUZ · LTA4 hydrolase in complex with compound LYS006 · 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 7AUZ · PDBe 7AUZ · UniProt P09960
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