Research workbench
Crystal structure of N-terminal domain of acyl-CoA thioesterase 7
Analyse Crystal structure of N-terminal domain of acyl-CoA thioesterase 7 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2V1O
- Type
- protein
- Length
- 890 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytosolic acyl coenzyme a thioester hydrolase
- UniProt
- Q91V12
- Ligands
- COA
- Pockets
- 13 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Cytosolic acyl coenzyme a thioester hydrolase | protein | 149 | 27% helix, 37% strand | Q91V12 |
| B, D, E, F | Cytosolic acyl coenzyme a thioester hydrolase | protein | 148 | 28% helix, 36% strand | Q91V12 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 6 copies · chains A, D, B, C, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 445 | 0.84 | 0.92 | 88 | empty |
| 2 | 354 | 0.80 | 0.90 | 57 | empty |
| 3 | 238 | 0.77 | 0.91 | 53 | empty |
| 4 | 229 | 0.72 | 0.87 | 45 | empty |
| 5 | 360 | 0.71 | 0.83 | 53 | COA |
Interfaces
12 interfaces between chains.
- A–D · 1214 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 1203 Ų buried · 18 hydrogen bonds · protein-protein
- E–F · 1117 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 867 Ų buried · 8 hydrogen bonds · protein-protein
- B–F · 863 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2V1O · Crystal structure of N-terminal domain of acyl-CoA thioesterase 7 · the same entry in another collection · chain F against F, TM-score 1.00
- Q91V12 · AlphaFold monomer V2.0 prediction for cytosolic acyl coenzyme a thioester hydrolase… · a predicted model of the same protein · chain E against A, TM-score 0.99
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 Q91V12
- Elsewhere: RCSB PDB 2V1O · PDBe 2V1O · UniProt Q91V12
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