Research workbench
Crystal structure of human LTA4H mutant R563A in open conformation
Analyse Crystal structure of human LTA4H mutant R563A in open conformation in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5NIE
- Type
- protein
- Length
- 1,819 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
- UniProt
- P09960
- Ligands
- ZN
- Pockets
- 15 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Leukotriene a-4 hydrolase (EC 3.3.2.6) | protein | 606 | 42% helix, 22% strand | P09960 |
| B | Leukotriene a-4 hydrolase (EC 3.3.2.6) | protein | 607 | 42% helix, 23% strand | P09960 |
Ligands and binding sites
- 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
15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 894 | 0.79 | 0.81 | 96 | empty |
| 2 | 1163 | 0.78 | 0.79 | 96 | empty |
| 3 | 1199 | 0.77 | 0.79 | 84 | empty |
| 4 | 565 | 0.74 | 0.81 | 43 | empty |
| 5 | 336 | 0.62 | 0.78 | 35 | empty |
Interfaces
3 interfaces between chains.
- A–C · 542 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 389 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 274 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5NIE · Crystal structure of human LTA4H mutant R563A in open conformation · 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 5NIE · PDBe 5NIE · UniProt P09960
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