MolNFT v1 · #66276 · protein
Crystal structure of human mitochondrial acyl-CoA thioesterase (ACOT2)
3HLK · Acyl-coenzyme a thioesterase 2, mitochondrial: “Crystal structure of human mitochondrial acyl-CoA thioesterase (ACOT2)”. X-ray diffraction, 4 pockets (best druggability 0.68). MolNFT v1 #66276 on GenesisL1: 3D structure, binding…
- PDB
- 3HLK
- Type
- protein
- Length
- 819 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-coenzyme a thioesterase 2, mitochondrial
- EC
- 3.1.2.2
- UniProt
- P49753
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 20% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl-coenzyme a thioesterase 2, mitochondrial (EC 3.1.2.2) | protein | 408 | 20% helix, 32% strand | P49753 |
| B | Acyl-coenzyme a thioesterase 2, mitochondrial (EC 3.1.2.2) | protein | 411 | 20% helix, 32% strand | P49753 |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 472 | 0.68 | 0.79 | 77 | empty |
| 2 | 329 | 0.64 | 0.80 | 62 | empty |
| 3 | 224 | 0.49 | 0.75 | 26 | empty |
| 4 | 184 | 0.43 | 0.73 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 280 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3HLK · Crystal structure of human mitochondrial acyl-CoA thioesterase (ACOT2) · the same entry in another collection · chain B against B, TM-score 1.00
- P49753 · AlphaFold monomer V2.0 prediction for acyl-coenzyme a thioesterase 2, mitochondrial… · a predicted model of the same protein · 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 P49753
- Elsewhere: RCSB PDB 3HLK · PDBe 3HLK · UniProt P49753
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