MolNFT v1 · #51837 · protein
Complex of human leukotriene A4 hydrolase with a hydroxamic acid inhibitor
2VJ8 · LTA4H protein: “Complex of human leukotriene A4 hydrolase with a hydroxamic acid inhibitor”. X-ray diffraction, 3 ligands (HA2, YB, ZN), 5 pockets (best druggability 0.86). MolNFT v1 #51837 on GenesisL1: 3D structure, binding sites…
- PDB
- 2VJ8
- Type
- protein
- Length
- 610 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- LTA4H protein
- EC
- 3.3.2.6
- UniProt
- Q6IAT6
- Ligands
- HA2, YB, ZN
- Pockets
- 5 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | LTA4H protein (EC 3.3.2.6) | protein | 610 | 43% helix, 23% strand | Q6IAT6 |
Ligands and binding sites
- HA2 · 6-[{(2S)-2-amino-3-[4-(benzyloxy)phenyl]propyl}(hydroxy)amino]-6-oxohexanoic acid) · ligand · chains A
- YB · Ytterbium (III) ion · metal · 3 copies · chains A
- ZN · Zinc ion · metal · chains A
- IMD · Imidazole · additive · 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 | 1000 | 0.86 | 0.87 | 84 | HA2 |
| 2 | 280 | 0.60 | 0.79 | 40 | empty |
| 3 | 128 | 0.41 | 0.76 | 26 | empty |
| 4 | 121 | 0.41 | 0.76 | 22 | empty |
| 5 | 90 | 0.40 | 0.77 | 19 | IMD |
Compared structures
- 2VJ8 · Complex of human leukotriene A4 hydrolase with a hydroxamic acid inhibitor · 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 Q6IAT6
- Elsewhere: RCSB PDB 2VJ8 · PDBe 2VJ8 · UniProt Q6IAT6
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