Research workbench
Crystal structure of an enoyl-CoA hydratase from Rhodobacter sphaeroides 2.4.1
Analyse Crystal structure of an enoyl-CoA hydratase from Rhodobacter sphaeroides 2.4.1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4J2U
- Type
- protein
- Length
- 681 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2
- Source
- Rhodobacter sphaeroides
- Molecule
- Enoyl-CoA hydratase
- EC
- 4.2.1.17
- UniProt
- Q3J1K7
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · resolution 2 · 2 distinct chains · 51% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-CoA hydratase (EC 4.2.1.17) | protein | 344 | 50% helix, 12% strand | Q3J1K7 |
| B | Enoyl-CoA hydratase (EC 4.2.1.17) | protein | 337 | 51% helix, 13% strand | Q3J1K7 |
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 428 | 0.76 | 0.86 | 43 | empty |
| 2 | 164 | 0.70 | 0.89 | 41 | empty |
| 3 | 381 | 0.65 | 0.79 | 54 | empty |
| 4 | 244 | 0.63 | 0.81 | 26 | empty |
| 5 | 127 | 0.40 | 0.75 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 803 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 13 modified (engineered).
Compared structures
- 4J2U · Crystal structure of an enoyl-CoA hydratase from rhodobacter sphaeroides 2.4.1 · the same entry in another collection · chain A 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 Q3J1K7
- Elsewhere: RCSB PDB 4J2U · PDBe 4J2U · UniProt Q3J1K7
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