MolNFT v1 · #52174 · protein
Structure and functional properties of the bacillus subtilis transcriptional repressor rex
2VT3 · Redox-sensing transcriptional repressor rex: “Structure and functional properties of the bacillus subtilis transcriptional repressor rex”. X-ray diffraction, 1 ligand (ATP), 5 pockets (best druggability 0.48). MolNFT v1 #52174 on…
- PDB
- 2VT3
- Type
- protein
- Length
- 393 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Redox-sensing transcriptional repressor rex
- UniProt
- O05521
- Ligands
- ATP
- Pockets
- 5 · best druggability 0.48
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Redox-sensing transcriptional repressor rex | protein | 185 | 50% helix, 18% strand | O05521 |
| B | Redox-sensing transcriptional repressor rex | protein | 208 | 46% helix, 19% strand | O05521 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 153 | 0.48 | 0.77 | 29 | ATP |
| 2 | 172 | 0.45 | 0.74 | 18 | empty |
| 3 | 146 | 0.44 | 0.76 | 26 | ATP |
| 4 | 71 | 0.34 | 0.76 | 15 | empty |
| 5 | 52 | 0.27 | 0.74 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1911 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 2VT3 · Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex · the same entry in another collection · chain A against A, TM-score 1.00
- O05521 · AlphaFold monomer V2.0 prediction for redox-sensing transcriptional repressor rex (O05521) · a predicted model of the same protein · chain A against A, TM-score 0.65
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 O05521
- Elsewhere: RCSB PDB 2VT3 · PDBe 2VT3 · UniProt O05521
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