Research workbench
Crystal structure of human peroxisomal DELTA3,DELTA2, enoyl-CoA isomerase helix-10 deletion mutant (isob-ECI2)
Analyse Crystal structure of human peroxisomal DELTA3,DELTA2, enoyl-CoA isomerase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4U1A
- Type
- protein
- Length
- 737 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-CoA delta isomerase 2
- EC
- 5.3.3.8
- UniProt
- O75521
- Ligands
- CL
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 52% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-CoA delta isomerase 2 (EC 5.3.3.8) | protein | 243 | 53% helix, 17% strand | O75521 |
| B | Enoyl-CoA delta isomerase 2 (EC 5.3.3.8) | protein | 244 | 53% helix, 17% strand | O75521 |
| C | Enoyl-CoA delta isomerase 2 (EC 5.3.3.8) | protein | 250 | 52% helix, 17% strand | O75521 |
Ligands and binding sites
- CL · Chloride ion · ion · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 367 | 0.76 | 0.86 | 39 | empty |
| 2 | 88 | 0.73 | 0.95 | 18 | empty |
| 3 | 164 | 0.61 | 0.83 | 24 | CL |
| 4 | 222 | 0.61 | 0.82 | 30 | empty |
| 5 | 161 | 0.61 | 0.83 | 24 | CL |
Interfaces
3 interfaces between chains.
- A–C · 1213 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1198 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 1198 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 4U1A · Crystal structure of human peroxisomal delta3,delta2, enoyl-CoA isomerase helix-10… · the same entry in another collection · chain A against A, TM-score 1.00
- O75521 · AlphaFold monomer V2.0 prediction for enoyl-CoA delta isomerase 2 (O75521) · 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 O75521
- Elsewhere: RCSB PDB 4U1A · PDBe 4U1A · UniProt O75521
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