Research workbench
Apo structure of the 3-ketoacyl-CoA thiolase FADA5 from M. tuberculosis
Analyse Apo structure of the 3-ketoacyl-CoA thiolase FADA5 from M. tuberculosis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4UBW
- Type
- protein
- Length
- 776 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyl-CoA acetyltransferase FADA5
- UniProt
- I6XHI4
- Ligands
- NA, CL
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetyl-CoA acetyltransferase FADA5 | protein | 385 | 36% helix, 24% strand | I6XHI4 |
| B | Acetyl-CoA acetyltransferase FADA5 | protein | 391 | 37% helix, 24% strand | I6XHI4 |
Ligands and binding sites
- NA · Sodium ion · metal · chains A, B
- CL · Chloride ion · ion · chains B
- DMS · Dimethyl sulfoxide · additive · 26 copies · chains A, B
- GOL · Glycerol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 445 | 0.69 | 0.80 | 54 | DMS |
| 2 | 431 | 0.62 | 0.76 | 53 | empty |
| 3 | 194 | 0.54 | 0.78 | 33 | empty |
| 4 | 82 | 0.34 | 0.75 | 19 | DMS |
| 5 | 52 | 0.34 | 0.78 | 13 | DMS |
Interfaces
1 interface between chains.
- A–B · 2054 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 4UBW · Apo structure of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis · the same entry in another collection · chain A against A, TM-score 1.00
- I6XHI4 · AlphaFold monomer V2.0 prediction for steroid 3-ketoacyl-CoA thiolase (I6XHI4) · 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 I6XHI4
- Elsewhere: RCSB PDB 4UBW · PDBe 4UBW · UniProt I6XHI4
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.