Research workbench
Crystal structure of type II 3-hydroxyacyl-CoA dehydrogenase from thermus thermophilus HB8
Analyse Crystal structure of type II 3-hydroxyacyl-CoA dehydrogenase from thermus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1UAY
- Type
- protein
- Length
- 479 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Type II 3-hydroxyacyl-CoA dehydrogenase
- UniProt
- Q7SIA1
- Ligands
- ADN
- Pockets
- 6 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Type II 3-hydroxyacyl-CoA dehydrogenase | protein | 241 | 44% helix, 17% strand | Q7SIA1 |
| B | Type II 3-hydroxyacyl-CoA dehydrogenase | protein | 238 | 43% helix, 18% strand | Q7SIA1 |
Ligands and binding sites
- ADN · Adenosine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 547 | 0.73 | 0.81 | 57 | ADN |
| 2 | 185 | 0.64 | 0.84 | 36 | ADN |
| 3 | 67 | 0.38 | 0.79 | 20 | empty |
| 4 | 85 | 0.33 | 0.73 | 15 | empty |
| 5 | 72 | 0.32 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1508 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 1UAY · Crystal Structure of Type II 3-Hydroxyacyl-CoA Dehydrogenase from Thermus thermophilus HB8 · 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 Q7SIA1
- Elsewhere: RCSB PDB 1UAY · PDBe 1UAY · UniProt Q7SIA1
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