Research workbench
Crystal structure of human beta-hydroxyisobutyryl-CoA hydrolase in complex with quercetin
Analyse Crystal structure of human beta-hydroxyisobutyryl-CoA hydrolase in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3BPT
- Type
- protein
- Length
- 362 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-hydroxyisobutyryl-CoA hydrolase
- EC
- 3.1.2.4
- UniProt
- Q6NVY1
- Ligands
- QUE, HIU
- Pockets
- 1 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-hydroxyisobutyryl-CoA hydrolase (EC 3.1.2.4) | protein | 362 | 51% helix, 12% strand | Q6NVY1 |
Ligands and binding sites
- QUE · 3,5,7,3',4'-pentahydroxyflavone · ligand · chains A
- HIU · (2R)-3-hydroxy-2-methylpropanoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 240 | 0.60 | 0.80 | 39 | QUE, HIU |
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 3BPT · Crystal structure of human beta-hydroxyisobutyryl-CoA hydrolase in complex with quercetin · the same entry in another collection · chain A against A, TM-score 1.00
- Q6NVY1 · AlphaFold monomer V2.0 prediction for 3-hydroxyisobutyryl-CoA hydrolase, mitochondrial… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q6NVY1
- Elsewhere: RCSB PDB 3BPT · PDBe 3BPT · UniProt Q6NVY1
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