MolNFT v1 · #106227 · protein
Crystal structures of the human leukotriene A4 hydrolase complex with a potential inhibitor H7
4RSY · Leukotriene a-4 hydrolase: “Crystal structures of the human leukotriene A4 hydrolase complex with a potential inhibitor H7”. X-ray diffraction, 3 ligands (B3N, ZN, YB), 6 pockets (best druggability 0.86). MolNFT v1 #106227 on…
- PDB
- 4RSY
- 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
- B3N, ZN, YB
- Pockets
- 6 · best druggability 0.86
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 | 607 | 44% helix, 23% strand | P09960 |
Ligands and binding sites
- B3N · 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide · ligand · chains A
- ZN · Zinc ion · metal · chains A
- YB · Ytterbium (III) ion · metal · chains A
- ACY · Acetic acid · additive · chains A
- IMD · Imidazole · 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 | 1054 | 0.86 | 0.87 | 97 | B3N, IMD |
| 2 | 120 | 0.53 | 0.82 | 25 | empty |
| 3 | 203 | 0.48 | 0.75 | 24 | empty |
| 4 | 150 | 0.42 | 0.75 | 26 | empty |
| 5 | 65 | 0.30 | 0.74 | 20 | empty |
Compared structures
- 4RSY · Crystal structures of the Human leukotriene A4 Hydrolase complex with a potential… · 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 4RSY · PDBe 4RSY · UniProt P09960
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