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Structure of hydroxyisobutyrate dehydrogenase from thermus thermophilus HB8
Analyse Structure of hydroxyisobutyrate dehydrogenase from thermus thermophilus HB8 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2CVZ
- Type
- protein
- Length
- 1,153 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.8
- Source
- Thermus thermophilus
- Molecule
- 3-hydroxyisobutyrate dehydrogenase
- EC
- 1.1.1.31
- UniProt
- Q5SLQ6
- Ligands
- NDP
- Pockets
- 7 · best druggability 0.71
Structure
x-ray diffraction · resolution 1.8 · 2 distinct chains · 55% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | 3-hydroxyisobutyrate dehydrogenase (EC 1.1.1.31) | protein | 288 | 55% helix, 15% strand | Q5SLQ6 |
| C | 3-hydroxyisobutyrate dehydrogenase (EC 1.1.1.31) | protein | 289 | 56% helix, 14% strand | Q5SLQ6 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 378 | 0.71 | 0.83 | 50 | NDP |
| 2 | 402 | 0.69 | 0.81 | 51 | NDP |
| 3 | 379 | 0.69 | 0.81 | 51 | NDP |
| 4 | 459 | 0.63 | 0.77 | 44 | empty |
| 5 | 115 | 0.43 | 0.77 | 34 | empty |
Interfaces
6 interfaces between chains.
- C–D · 2603 Ų buried · 33 hydrogen bonds · protein-protein
- A–B · 2547 Ų buried · 34 hydrogen bonds · protein-protein
- A–C · 692 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 684 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 400 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 21 modified (engineered).
Compared structures
- 2CVZ · Structure of hydroxyisobutyrate dehydrogenase from thermus thermophilus HB8 · 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 Q5SLQ6
- Elsewhere: RCSB PDB 2CVZ · PDBe 2CVZ · UniProt Q5SLQ6
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