Research workbench
Crystal structure of 3-hydroxybutylryl-CoA dehydrogenase from clostridium butyricum
Analyse Crystal structure of 3-hydroxybutylryl-CoA dehydrogenase from clostridium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4KUE
- Type
- protein
- Length
- 1,120 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-hydroxybutyryl-CoA dehydrogenase
- EC
- 1.1.1.157
- UniProt
- C4IEM5
- Pockets
- 10 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | 3-hydroxybutyryl-CoA dehydrogenase (EC 1.1.1.157) | protein | 280 | 52% helix, 15% strand | C4IEM5 |
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 58 | 0.73 | 0.99 | 18 | empty |
| 2 | 332 | 0.66 | 0.81 | 49 | empty |
| 3 | 441 | 0.66 | 0.78 | 53 | empty |
| 4 | 437 | 0.66 | 0.78 | 50 | empty |
| 5 | 377 | 0.64 | 0.79 | 45 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1862 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 1854 Ų buried · 21 hydrogen bonds · protein-protein
- A–D · 154 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 81 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4KUE · Crystal structure of 3-hydroxybutylryl-CoA dehydrogenase from Clostridium butyricum · 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 C4IEM5
- Elsewhere: RCSB PDB 4KUE · PDBe 4KUE · UniProt C4IEM5
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