Research workbench
Novel structural insights into GDP-mediated regulation of acyl-CoA thioesterases
Analyse Novel structural insights into GDP-mediated regulation of acyl-CoA thioesterases in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5SZU
- Type
- protein
- Length
- 588 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-CoA hydrolase
- EC
- 3.1.2.-
- UniProt
- A0A0Y5D4F5
- Ligands
- COA
- Pockets
- 13 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Acyl-CoA hydrolase (EC 3.1.2.-) | protein | 147 | 29% helix, 41% strand | A0A0Y5D4F5 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 4 copies · chains A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 137 | 0.59 | 0.84 | 25 | empty |
| 2 | 142 | 0.58 | 0.83 | 21 | empty |
| 3 | 92 | 0.51 | 0.83 | 20 | empty |
| 4 | 87 | 0.46 | 0.81 | 20 | empty |
| 5 | 68 | 0.46 | 0.83 | 20 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1188 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 1152 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 703 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 5SZU · Novel Structural Insights into GDP-Mediated Regulation of Acyl-CoA Thioesterases · 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 A0A0Y5D4F5
- Elsewhere: RCSB PDB 5SZU · PDBe 5SZU · UniProt A0A0Y5D4F5
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