Research workbench
Acetyl CoA Synthetase, Acetylated on Lys609
Analyse Acetyl CoA Synthetase, Acetylated on Lys609 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1PG3
- Type
- protein
- Length
- 1,273 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.3
- Source
- Salmonella enterica
- Molecule
- acetyl-CoA synthetase
- EC
- 6.2.1.1
- UniProt
- Q8ZKF6
- Ligands
- COA, PRX, MG
- Pockets
- 8 · best druggability 0.86
Structure
x-ray diffraction · resolution 2.3 · 2 distinct chains · 33% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | acetyl-CoA synthetase (EC 6.2.1.1) | protein | 634 | 33% helix, 26% strand | Q8ZKF6 |
| B | acetyl-CoA synthetase (EC 6.2.1.1) | protein | 639 | 33% helix, 25% strand | Q8ZKF6 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- PRX · Adenosine-5'-monophosphate-propyl ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 787 | 0.86 | 0.88 | 100 | COA, PRX, EDO |
| 2 | 1176 | 0.82 | 0.83 | 122 | COA, PRX, EDO |
| 3 | 430 | 0.75 | 0.84 | 50 | empty |
| 4 | 116 | 0.59 | 0.86 | 26 | empty |
| 5 | 98 | 0.49 | 0.81 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 678 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
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 Q8ZKF6
- Elsewhere: RCSB PDB 1PG3 · PDBe 1PG3 · UniProt Q8ZKF6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.