Research workbench
Crystal structure of the escherichia COLI transcriptional repressor ascg
Analyse Crystal structure of the escherichia COLI transcriptional repressor ascg in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3BRQ
- Type
- protein
- Length
- 548 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator ascg
- UniProt
- P24242
- Ligands
- FRU, NA, SO4
- Pockets
- 1 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional regulator ascg | protein | 271 | 44% helix, 16% strand | P24242 |
| B | Hth-type transcriptional regulator ascg | protein | 277 | 43% helix, 18% strand | P24242 |
Ligands and binding sites
- FRU · beta-D-fructofuranose · sugar · chains A
- NA · Sodium ion · metal · chains B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 932 | 0.79 | 0.81 | 71 | FRU, SO4 |
Interfaces
1 interface between chains.
- A–B · 1869 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 modified (engineered).
Compared structures
- 3BRQ · Crystal structure of the Escherichia coli transcriptional repressor ascG · the same entry in another collection · chain A against A, TM-score 1.00
- P24242 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator ascg (P24242) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P24242
- Elsewhere: RCSB PDB 3BRQ · PDBe 3BRQ · UniProt P24242
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