MolNFT v1 · #113396 · protein
Structures of inactive and activated dntr provide conclusive evidence for the mechanism of action of lysr transcription factors
5AE5 · Lysr-type regulatory protein: “Structures of inactive and activated dntr provide conclusive evidence for the mechanism of action of lysr…”. X-ray diffraction, 4 pockets (best druggability 0.72). MolNFT v1 #113396 on GenesisL1: 3D…
- PDB
- 5AE5
- Type
- protein
- Length
- 580 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lysr-type regulatory protein
- UniProt
- Q7WT50
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lysr-type regulatory protein | protein | 292 | 43% helix, 20% strand | Q7WT50 |
| B | Lysr-type regulatory protein | protein | 288 | 44% helix, 20% strand | Q7WT50 |
Ligands and binding sites
- GOL · Glycerol · additive · 9 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 464 | 0.72 | 0.81 | 68 | GOL |
| 2 | 162 | 0.55 | 0.80 | 39 | empty |
| 3 | 147 | 0.50 | 0.79 | 29 | empty |
| 4 | 56 | 0.32 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1558 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 5AE5 · 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 5AE5 · PDBe 5AE5 · UniProt Q7WT50
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