Research workbench
Crystal structure of peroxisomal DELTA3-DELTA2-enoyl-CoA isomerase from saccharomyces cerevisiae
Analyse Crystal structure of peroxisomal DELTA3-DELTA2-enoyl-CoA isomerase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1HNU
- Type
- protein
- Length
- 248 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- D3,D2-enoyl CoA isomerase ECI1
- EC
- 5.3.3.8
- UniProt
- Q05871
- Ligands
- REO
- Pockets
- 3 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | D3,D2-enoyl CoA isomerase ECI1 (EC 5.3.3.8) | protein | 248 | 53% helix, 16% strand | Q05871 |
Ligands and binding sites
- REO · Perrhenate · ligand · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 254 | 0.58 | 0.78 | 36 | REO, EDO |
| 2 | 139 | 0.56 | 0.82 | 29 | REO |
| 3 | 69 | 0.32 | 0.75 | 14 | empty |
Compared structures
- 1HNU · Crystal structure of peroxisomal DELTA3-DELTA2-enoyl-CoA isomerase from saccharomyces… · the same entry in another collection · chain A against A, TM-score 1.00
- Q05871 · AlphaFold monomer V2.0 prediction for 3,2-trans-enoyl-CoA isomerase (Q05871) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q05871
- Elsewhere: RCSB PDB 1HNU · PDBe 1HNU · UniProt Q05871
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