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Structure of acetyl-coenzyme a synthase alpha subunit C-terminal domain F598H mutant
Analyse Structure of acetyl-coenzyme a synthase alpha subunit C-terminal domain F598H… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5GOL
- Type
- protein
- Length
- 540 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbon monoxide DEHYDROGENASE/ACETYL-CoA synthase subunit alpha
- EC
- 2.3.1.169
- UniProt
- P27988
- Ligands
- NI, SO4
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Carbon monoxide DEHYDROGENASE/ACETYL-CoA synthase subunit alpha (EC 2.3.1.169) | protein | 135 | 43% helix, 16% strand | P27988 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · 4 copies · chains A, D, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, D, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 553 | 0.68 | 0.78 | 67 | empty |
| 2 | 180 | 0.44 | 0.74 | 27 | empty |
| 3 | 129 | 0.38 | 0.74 | 31 | empty |
| 4 | 83 | 0.38 | 0.77 | 16 | empty |
Interfaces
5 interfaces between chains.
- A–D · 914 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 741 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 638 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 187 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 50 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 5GOL · Structure of acetyl-Coenzyme A synthase Alpha subunit C-terminal domain F598H mutant · the same entry in another collection · chain D against D, TM-score 1.00
- P27988 · AlphaFold monomer V2.0 prediction for carbon monoxide DEHYDROGENASE/ACETYL-CoA synthase… · a predicted model of the same protein · chain C against A, TM-score 0.95
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 P27988
- Elsewhere: RCSB PDB 5GOL · PDBe 5GOL · UniProt P27988
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