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Architectural hierarchy of trans-acting enoyl reductases from polyunsaturated fatty acid and trans-at polyketide synthases
Analyse Architectural hierarchy of trans-acting enoyl reductases from polyunsaturated… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4YX6
- Type
- protein
- Length
- 1,020 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Omega-3 polyunsaturated fatty acid synthase subunit pfad
- UniProt
- Q8EGK4
- Ligands
- FMN, CA
- Pockets
- 9 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Omega-3 polyunsaturated fatty acid synthase subunit pfad | protein | 518 | 47% helix, 14% strand | Q8EGK4 |
| B | Omega-3 polyunsaturated fatty acid synthase subunit pfad | protein | 502 | 47% helix, 15% strand | Q8EGK4 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 781 | 0.81 | 0.85 | 92 | empty |
| 2 | 723 | 0.76 | 0.81 | 73 | FMN |
| 3 | 746 | 0.75 | 0.80 | 73 | FMN, CA |
| 4 | 458 | 0.65 | 0.78 | 67 | empty |
| 5 | 81 | 0.44 | 0.80 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1832 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4YX6 · Architectural hierarchy of trans-acting enoyl reductases from polyunsaturated fatty acid… · 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 Q8EGK4
- Elsewhere: RCSB PDB 4YX6 · PDBe 4YX6 · UniProt Q8EGK4
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