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The crystal structure of a PurR family transcriptional regulator from Vibrio parahaemolyticus RIMD 2210633
Analyse The crystal structure of a PurR family transcriptional regulator from Vibrio… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3D8U
- Type
- protein
- Length
- 534 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.88
- Source
- Vibrio parahaemolyticus
- Molecule
- PurR transcriptional regulator
- UniProt
- Q87JL7
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · resolution 2.88 · 2 distinct chains · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PurR transcriptional regulator | protein | 264 | 42% helix, 17% strand | Q87JL7 |
| B | PurR transcriptional regulator | protein | 270 | 44% helix, 17% strand | Q87JL7 |
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 313 | 0.77 | 0.89 | 43 | empty |
| 2 | 236 | 0.75 | 0.89 | 36 | empty |
| 3 | 74 | 0.73 | 0.96 | 19 | empty |
| 4 | 632 | 0.70 | 0.78 | 55 | empty |
| 5 | 330 | 0.66 | 0.81 | 58 | empty |
Interfaces
1 interface between chains.
- A–B · 1326 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 3D8U · The crystal structure of a purr family transcriptional regulator from vibrio… · 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 Q87JL7
- Elsewhere: RCSB PDB 3D8U · PDBe 3D8U · UniProt Q87JL7
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