MolNFT v1 · #21612 · protein
Crystal structure of human mitochondrial DELTA3-DELTA2- enoyl-CoA isomerase
1SG4 · 3,2-trans-enoyl-CoA isomerase, mitochondrial: “Crystal structure of human mitochondrial DELTA3-DELTA2- enoyl-CoA isomerase”. X-ray diffraction, 1 ligand (CO8), 4 pockets (best druggability 0.70). MolNFT v1 #21612 on GenesisL1: 3D…
- PDB
- 1SG4
- Type
- protein
- Length
- 757 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3,2-trans-enoyl-CoA isomerase, mitochondrial
- EC
- 5.3.3.8
- UniProt
- P42126
- Ligands
- CO8
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 55% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3,2-trans-enoyl-CoA isomerase, mitochondrial (EC 5.3.3.8) | protein | 249 | 53% helix, 17% strand | P42126 |
| B | 3,2-trans-enoyl-CoA isomerase, mitochondrial (EC 5.3.3.8) | protein | 258 | 56% helix, 16% strand | P42126 |
| C | 3,2-trans-enoyl-CoA isomerase, mitochondrial (EC 5.3.3.8) | protein | 250 | 55% helix, 17% strand | P42126 |
Ligands and binding sites
- CO8 · Octanoyl-coenzyme A · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 831 | 0.70 | 0.76 | 77 | empty |
| 2 | 386 | 0.67 | 0.80 | 48 | CO8 |
| 3 | 391 | 0.67 | 0.80 | 36 | empty |
| 4 | 261 | 0.65 | 0.82 | 41 | empty |
Interfaces
3 interfaces between chains.
- B–C · 903 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 878 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 843 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 1SG4 · Crystal structure of human mitochondrial delta3-delta2-enoyl-CoA isomerase · the same entry in another collection · chain A against A, TM-score 1.00
- P42126 · AlphaFold monomer V2.0 prediction for enoyl-CoA delta isomerase 1, mitochondrial (P42126) · a predicted model of the same protein · chain B 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 P42126
- Elsewhere: RCSB PDB 1SG4 · PDBe 1SG4 · UniProt P42126
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