Research workbench
Crystal structure of acetate CoA-transferase alpha subunit
Analyse Crystal structure of acetate CoA-transferase alpha subunit in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1K6D
- Type
- protein
- Length
- 436 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetate CoA-transferase alpha subunit
- EC
- 2.8.3.8
- UniProt
- P76458
- Ligands
- MG
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetate CoA-transferase alpha subunit (EC 2.8.3.8) | protein | 217 | 27% helix, 31% strand | P76458 |
| B | Acetate CoA-transferase alpha subunit (EC 2.8.3.8) | protein | 219 | 27% helix, 31% strand | P76458 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 480 | 0.59 | 0.74 | 47 | MG |
| 2 | 61 | 0.30 | 0.75 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1031 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 1K6D · Crystal structure of acetate CoA-transferase alpha subunit · the same entry in another collection · chain A against A, TM-score 1.00
- P76458 · AlphaFold monomer V2.0 prediction for acetate CoA-transferase subunit alpha (P76458) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P76458
- Elsewhere: RCSB PDB 1K6D · PDBe 1K6D · UniProt P76458
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