MolNFT v1 · #90798 · protein
Succinyl-COA:ACETATE CoA-transferase (AARCH6) in complex with CoA, acetate, and covalent acetylglutamyl anhydride and glutamyl-CoA thioester adducts
4EU6 · Succinyl-COA:ACETATE coenzyme a transferase: “Succinyl-COA:ACETATE CoA-transferase (AARCH6) in complex with CoA, acetate, and covalent acetylglutamyl…”. X-ray diffraction, 2 ligands (COA, CL), 11 pockets (best druggability 0.78).…
- PDB
- 4EU6
- Type
- protein
- Length
- 1,017 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Succinyl-COA:ACETATE coenzyme a transferase
- EC
- 2.8.3.18
- UniProt
- B3EY95
- Ligands
- COA, CL
- Pockets
- 11 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Succinyl-COA:ACETATE coenzyme a transferase (EC 2.8.3.18) | protein | 513 | 35% helix, 21% strand | B3EY95 |
| B | Succinyl-COA:ACETATE coenzyme a transferase (EC 2.8.3.18) | protein | 504 | 35% helix, 22% strand | B3EY95 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 4 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 122 | 0.78 | 0.97 | 44 | empty |
| 2 | 740 | 0.77 | 0.81 | 91 | COA, ACT |
| 3 | 620 | 0.77 | 0.83 | 75 | COA |
| 4 | 65 | 0.72 | 0.98 | 25 | empty |
| 5 | 50 | 0.66 | 0.96 | 14 | CL |
Interfaces
1 interface between chains.
- A–B · 3556 Ų buried · 51 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (additive adduct, covalent ligand).
Compared structures
- 4EU6 · Succinyl-CoA:acetate CoA-transferase (AarCH6) in complex with CoA, acetate, and covalent… · the same entry in another collection · chain A against A, TM-score 1.00
- B3EY95 · AlphaFold monomer V2.0 prediction for succinyl-COA:ACETATE CoA- transferase (B3EY95) · a predicted model of the same protein · chain B 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 B3EY95
- Elsewhere: RCSB PDB 4EU6 · PDBe 4EU6 · UniProt B3EY95
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