Research workbench
Structures of inactive and activated dntr provide conclusive evidence for the mechanism of action of lysr transcription factors
Analyse Structures of inactive and activated dntr provide conclusive evidence for the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5AE4
- Type
- protein
- Length
- 428 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lysr-type regulatory protein
- UniProt
- Q7WT50
- Ligands
- SCN
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lysr-type regulatory protein | protein | 215 | 34% helix, 27% strand | Q7WT50 |
| B | Lysr-type regulatory protein | protein | 213 | 34% helix, 28% strand | Q7WT50 |
Ligands and binding sites
- SCN · Thiocyanate ion · ion · 2 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 | 487 | 0.71 | 0.81 | 68 | SCN |
| 2 | 59 | 0.69 | 0.96 | 18 | SCN |
| 3 | 50 | 0.27 | 0.74 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1541 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 5AE4 · Structures of inactive and activated DntR provide conclusive evidence for the mechanism… · 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 Q7WT50
- Elsewhere: RCSB PDB 5AE4 · PDBe 5AE4 · UniProt Q7WT50
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