Research workbench
Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis
Analyse Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6YQ6
- Type
- protein
- Length
- 475 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.08
- Source
- Streptomyces sp. QL37
- Molecule
- Monooxygenase
- UniProt
- A0A2S6PN47
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.63
Structure
x-ray diffraction · resolution 2.08 · 2 distinct chains · 51% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| AAA | Monooxygenase | protein | 231 | 50% helix, 16% strand | A0A2S6PN47 |
| BBB | Monooxygenase | protein | 244 | 52% helix, 16% strand | A0A2S6PN47 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains AAA, BBB
- EDO · 1,2-ethanediol · additive · 16 copies · chains AAA, BBB
- PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains AAA, BBB
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 175 | 0.63 | 0.84 | 30 | EDO, SO4 |
| 2 | 264 | 0.53 | 0.76 | 35 | PEG, EDO, SO4 |
| 3 | 191 | 0.51 | 0.77 | 24 | EDO |
| 4 | 55 | 0.33 | 0.77 | 13 | empty |
| 5 | 56 | 0.33 | 0.77 | 24 | empty |
Interfaces
1 interface between chains.
- AAA–BBB · 1301 Ų buried · 13 hydrogen bonds · protein-protein
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 A0A2S6PN47
- Elsewhere: RCSB PDB 6YQ6 · PDBe 6YQ6 · UniProt A0A2S6PN47
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.