MolNFT v1 · #9173 · protein
Crystal structure of peroxisomal DELTA3-DELTA2-enoyl-CoA isomerase from saccharomyces cerevisiae
1HNO · D3,D2-enoyl CoA isomerase ECI1: “Crystal structure of peroxisomal DELTA3-DELTA2-enoyl-CoA isomerase from saccharomyces cerevisiae”. X-ray diffraction, 4 pockets (best druggability 0.66). MolNFT v1 #9173 on GenesisL1: 3D structure…
- PDB
- 1HNO
- 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
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 50% 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 | 50% helix, 16% strand | Q05871 |
Ligands and binding sites
- 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
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 51 | 0.66 | 0.96 | 15 | empty |
| 2 | 136 | 0.59 | 0.83 | 26 | empty |
| 3 | 251 | 0.58 | 0.78 | 37 | EDO |
| 4 | 62 | 0.30 | 0.74 | 13 | empty |
Compared structures
- 1HNO · 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 1HNO · PDBe 1HNO · UniProt Q05871
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