Research workbench
X-ray crystal structure of a 3-hydroxyacyl-CoA dehydrogenase from brucella suis
Analyse X-ray crystal structure of a 3-hydroxyacyl-CoA dehydrogenase from brucella suis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4O5O
- Type
- protein
- Length
- 518 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-hydroxyacyl-CoA dehydrogenase
- UniProt
- Q8FWK3
- Ligands
- ZN
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-hydroxyacyl-CoA dehydrogenase | protein | 257 | 46% helix, 17% strand | Q8FWK3 |
| B | 3-hydroxyacyl-CoA dehydrogenase | protein | 261 | 47% helix, 17% strand | Q8FWK3 |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 451 | 0.70 | 0.81 | 51 | empty |
| 2 | 322 | 0.69 | 0.83 | 50 | empty |
| 3 | 181 | 0.59 | 0.82 | 34 | empty |
| 4 | 55 | 0.50 | 0.86 | 16 | empty |
| 5 | 113 | 0.34 | 0.72 | 22 | TRS |
Interfaces
1 interface between chains.
- A–B · 1922 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 4O5O · X-ray Crystal Structure of a 3-hydroxyacyl-CoA dehydrogenase from Brucella suis · 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 Q8FWK3
- Elsewhere: RCSB PDB 4O5O · PDBe 4O5O · UniProt Q8FWK3
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