Research workbench
Crystal structure of acyl-coa thioesterase from mycobacterium avium
Analyse Crystal structure of acyl-coa thioesterase from mycobacterium avium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3RD7
- Type
- protein
- Length
- 551 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.95
- Source
- Mycobacterium avium
- Molecule
- Acyl-CoA thioesterase
- UniProt
- A0QFP4
- Ligands
- CL
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · resolution 1.95 · 2 distinct chains · 22% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl-CoA thioesterase | protein | 275 | 21% helix, 40% strand | A0QFP4 |
| B | Acyl-CoA thioesterase | protein | 276 | 22% helix, 39% strand | A0QFP4 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 777 | 0.76 | 0.80 | 61 | CL |
| 2 | 789 | 0.73 | 0.77 | 71 | CL |
| 3 | 177 | 0.55 | 0.79 | 32 | empty |
| 4 | 129 | 0.52 | 0.81 | 24 | empty |
| 5 | 125 | 0.51 | 0.80 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 2431 Ų buried · 46 hydrogen bonds · protein-protein
Compared structures
- 3RD7 · Crystal structure of acyl-CoA thioesterase from mycobacterium avium · the same entry in another collection · chain A 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 A0QFP4
- Elsewhere: RCSB PDB 3RD7 · PDBe 3RD7 · UniProt A0QFP4
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