Research workbench
Leukotriene A4 hydrolase complexed with kelatorphan
Analyse Leukotriene A4 hydrolase complexed with kelatorphan in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3B7U
- Type
- protein
- Length
- 610 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
- KEL, YB, ZN
- Pockets
- 6 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Leukotriene a-4 hydrolase (EC 3.3.2.6) | protein | 610 | 43% helix, 23% strand | P09960 |
Ligands and binding sites
- KEL · N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-alanine · ligand · chains X
- YB · Ytterbium (III) ion · metal · 3 copies · chains X
- ZN · Zinc ion · metal · chains X
- IMD · Imidazole · additive · chains X
- ACY · Acetic acid · additive · chains X
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 976 | 0.84 | 0.85 | 79 | IMD, KEL |
| 2 | 79 | 0.75 | 0.98 | 21 | empty |
| 3 | 96 | 0.53 | 0.83 | 18 | empty |
| 4 | 195 | 0.51 | 0.77 | 27 | empty |
| 5 | 116 | 0.39 | 0.75 | 25 | empty |
Compared structures
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 3B7U · PDBe 3B7U · UniProt P09960
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