MolNFT v1 · #23619 · protein
The structure of an allene oxide synthase reveals a novel use for a catalase fold
1U5U · Allene oxide synthase-lipoxygenase protein: “The structure of an allene oxide synthase reveals a novel use for a catalase fold”. X-ray diffraction, 1 ligand (HEM), 7 pockets (best druggability 0.84). MolNFT v1 #23619 on GenesisL1…
- PDB
- 1U5U
- Type
- protein
- Length
- 732 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Allene oxide synthase-lipoxygenase protein
- EC
- 4.2.1.92
- UniProt
- O16025
- Ligands
- HEM
- Pockets
- 7 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Allene oxide synthase-lipoxygenase protein (EC 4.2.1.92) | protein | 366 | 32% helix, 20% strand | O16025 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 607 | 0.84 | 0.89 | 66 | HEM |
| 2 | 683 | 0.84 | 0.87 | 75 | HEM |
| 3 | 100 | 0.39 | 0.76 | 19 | empty |
| 4 | 88 | 0.38 | 0.76 | 21 | empty |
| 5 | 60 | 0.33 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1084 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 1U5U · The structure of an Allene Oxide Synthase reveals a novel use for a catalase fold · the same entry in another collection · chain B against B, TM-score 1.00
- O16025 · AlphaFold monomer V2.0 prediction for allene oxide synthase- lipoxygenase protein (O16025) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 O16025
- Elsewhere: RCSB PDB 1U5U · PDBe 1U5U · UniProt O16025
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