MolNFT v1 · #181142 · protein
Substrate-dependent divergence of leukotriene A4 hydrolase aminopeptidase activity
7LLQ · Leukotriene a-4 hydrolase: “Substrate-dependent divergence of leukotriene A4 hydrolase aminopeptidase activity”. X-ray diffraction, 3 ligands (N0Y, 28T, ZN), 18 pockets (best druggability 0.86). MolNFT v1 #181142 on GenesisL1: 3D…
- PDB
- 7LLQ
- Type
- protein
- Length
- 1,824 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Leukotriene a-4 hydrolase
- EC
- 3.3.2.6, 3.4.11.4
- UniProt
- P09960
- Ligands
- N0Y, 28T, ZN
- Pockets
- 18 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Leukotriene a-4 hydrolase (EC 3.3.2.6, 3.4.11.4) | protein | 608 | 43% helix, 23% strand | P09960 |
Ligands and binding sites
- N0Y · 1-benzyl-4-methoxybenzene · ligand · 3 copies · chains A, B, C
- 28T · 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline · ligand · 3 copies · chains A, B, C
- ZN · Zinc ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 715 | 0.86 | 0.90 | 82 | N0Y, 28T |
| 2 | 1103 | 0.86 | 0.87 | 97 | N0Y, 28T |
| 3 | 1093 | 0.86 | 0.86 | 92 | ZN, N0Y, 28T |
| 4 | 267 | 0.72 | 0.87 | 46 | empty |
| 5 | 140 | 0.69 | 0.90 | 35 | empty |
Interfaces
3 interfaces between chains.
- A–B · 763 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 411 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 57 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7LLQ · Substrate-dependent divergence of leukotriene A4 hydrolase aminopeptidase activity · 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 7LLQ · PDBe 7LLQ · UniProt P09960
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