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Pennisetum glaucum (Pearl millet) dehydroascorbate reductase (DHAR) with catalytic cysteine (Cy20) in sulphenic and sulfinic acid forms.
Analyse Pennisetum glaucum (Pearl millet) dehydroascorbate reductase (DHAR) with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7F8S
- Type
- protein
- Length
- 423 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.63
- Source
- Cenchrus americanus
- Molecule
- Dehydroascorbate reductase
- EC
- 1.8.5.1
- UniProt
- U5XYA0
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · resolution 2.63 · 2 distinct chains · 53% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dehydroascorbate reductase (EC 1.8.5.1) | protein | 211 | 54% helix, 12% strand | U5XYA0 |
| B | Dehydroascorbate reductase (EC 1.8.5.1) | protein | 212 | 52% helix, 11% strand | U5XYA0 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 9 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 406 | 0.68 | 0.81 | 41 | empty |
| 2 | 362 | 0.66 | 0.80 | 38 | empty |
| 3 | 57 | 0.29 | 0.74 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 673 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 7F8S · Pennisetum glaucum (pearl millet) dehydroascorbate reductase (dhar) with catalytic… · 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 U5XYA0
- Elsewhere: RCSB PDB 7F8S · PDBe 7F8S · UniProt U5XYA0
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