MolNFT v1 · #147772 · protein
LTA4 hydrolase (E297Q) mutant in complex with pro-gly-pro peptide
6ENB · Leukotriene a-4 hydrolase: “LTA4 hydrolase (E297Q) mutant in complex with pro-gly-pro peptide”. X-ray diffraction, 2 ligands (YB, ZN), 6 pockets (best druggability 0.83). MolNFT v1 #147772 on GenesisL1: 3D structure, binding sites…
- PDB
- 6ENB
- Type
- protein
- Length
- 610 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Leukotriene a-4 hydrolase; Pro-gly-pro
- EC
- 3.3.2.6
- UniProt
- P09960
- Ligands
- YB, ZN
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Leukotriene a-4 hydrolase (EC 3.3.2.6) | protein | 607 | 44% helix, 24% strand | P09960 |
| B | Pro-gly-pro | protein | 3 | 0% helix, 0% strand | — |
Ligands and binding sites
- YB · Ytterbium (III) ion · metal · 2 copies · chains A
- ZN · Zinc ion · metal · chains A, B
- ACT · Acetate ion · 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 798 | 0.83 | 0.86 | 74 | IMD |
| 2 | 85 | 0.77 | 0.98 | 22 | empty |
| 3 | 104 | 0.52 | 0.83 | 19 | empty |
| 4 | 214 | 0.51 | 0.76 | 31 | empty |
| 5 | 153 | 0.45 | 0.76 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 310 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 6ENB · LTA4 hydrolase (E297Q) mutant in complex with Pro-Gly-Pro peptide · 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 6ENB · PDBe 6ENB · UniProt P09960
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