MolNFT v1 · #8429 · protein
Enoyl thioester reductase 2
1H0K · 2,4-dienoyl-CoA reductase: “Enoyl thioester reductase 2”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.76). MolNFT v1 #8429 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1H0K
- Type
- protein
- Length
- 728 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2,4-dienoyl-CoA reductase
- EC
- 1.3.1.10, 1.3.1.38
- UniProt
- Q8WZM4
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 2,4-dienoyl-CoA reductase (EC 1.3.1.10, 1.3.1.38) | protein | 364 | 35% helix, 25% strand | Q8WZM4 |
Ligands and binding sites
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 | 868 | 0.76 | 0.79 | 95 | GOL, SO4 |
| 2 | 718 | 0.72 | 0.79 | 83 | GOL, SO4 |
| 3 | 120 | 0.38 | 0.74 | 19 | GOL |
| 4 | 97 | 0.36 | 0.75 | 18 | empty |
| 5 | 51 | 0.33 | 0.78 | 13 | GOL |
Interfaces
1 interface between chains.
- A–B · 933 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
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 Q8WZM4
- Elsewhere: RCSB PDB 1H0K · PDBe 1H0K · UniProt Q8WZM4
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