Research workbench
Structure of D-3-hydroxybutyrate dehydrogenase from pseudomonas putida
Analyse Structure of D-3-hydroxybutyrate dehydrogenase from pseudomonas putida in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2Q2W
- Type
- protein
- Length
- 1,007 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-D-hydroxybutyrate dehydrogenase
- EC
- 1.1.1.30
- UniProt
- Q9AE70
- Pockets
- 10 · best druggability 0.86
Structure
x-ray diffraction · 4 distinct chains · 49% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-D-hydroxybutyrate dehydrogenase (EC 1.1.1.30) | protein | 253 | 48% helix, 15% strand | Q9AE70 |
| B | Beta-D-hydroxybutyrate dehydrogenase (EC 1.1.1.30) | protein | 255 | 49% helix, 15% strand | Q9AE70 |
| C | Beta-D-hydroxybutyrate dehydrogenase (EC 1.1.1.30) | protein | 251 | 48% helix, 16% strand | Q9AE70 |
| D | Beta-D-hydroxybutyrate dehydrogenase (EC 1.1.1.30) | protein | 248 | 50% helix, 15% strand | Q9AE70 |
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 900 | 0.86 | 0.88 | 59 | empty |
| 2 | 566 | 0.71 | 0.79 | 55 | empty |
| 3 | 510 | 0.70 | 0.79 | 48 | empty |
| 4 | 483 | 0.69 | 0.80 | 46 | empty |
| 5 | 464 | 0.67 | 0.78 | 46 | empty |
Interfaces
6 interfaces between chains.
- A–C · 1521 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 1496 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 1231 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 1219 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 267 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2Q2W · Structure of D-3-Hydroxybutyrate Dehydrogenase from Pseudomonas putida · the same entry in another collection · chain D against D, 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 Q9AE70
- Elsewhere: RCSB PDB 2Q2W · PDBe 2Q2W · UniProt Q9AE70
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