Research workbench
Crystal structure of mammalian dimeric dihydrodiol dehydrogenase
Analyse Crystal structure of mammalian dimeric dihydrodiol dehydrogenase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2O48
- Type
- protein
- Length
- 331 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dimeric dihydrodiol dehydrogenase
- EC
- 1.3.1.20
- UniProt
- Q9TQS6
- Ligands
- AC6, SO4
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Dimeric dihydrodiol dehydrogenase (EC 1.3.1.20) | protein | 331 | 37% helix, 24% strand | Q9TQS6 |
Ligands and binding sites
- AC6 · P-hydroxyacetophenone · ligand · chains X
- SO4 · Sulfate ion · ion · 4 copies · chains X
- BME · Beta-mercaptoethanol · additive · chains X
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 468 | 0.75 | 0.83 | 39 | SO4, AC6 |
| 2 | 51 | 0.71 | 0.98 | 21 | empty |
Modifications
Observed in the structure: 1 covalent (additive adduct).
Compared structures
- 2O48 · Crystal structure of Mammalian Dimeric Dihydrodiol Dehydrogenase · the same entry in another collection · chain X against X, TM-score 1.00
- Q9TQS6 · AlphaFold monomer V2.0 prediction for trans-1,2-dihydrobenzene-1,2-diol dehydrogenase… · a predicted model of the same protein · chain X 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 Q9TQS6
- Elsewhere: RCSB PDB 2O48 · PDBe 2O48 · UniProt Q9TQS6
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