MolNFT v1 · #98595 · protein
Crystal structure of the receiver domain of desr in complex with beryllofluoride and magnesium
4LE0 · Transcriptional regulatory protein desr: “Crystal structure of the receiver domain of desr in complex with beryllofluoride and magnesium”. X-ray diffraction, 2 ligands (BEF, MG), 1 pocket (best druggability 0.41). MolNFT v1 #98595…
- PDB
- 4LE0
- Type
- protein
- Length
- 265 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulatory protein desr
- UniProt
- O34723
- Ligands
- BEF, MG
- Pockets
- 1 · best druggability 0.41
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulatory protein desr | protein | 132 | 42% helix, 22% strand | O34723 |
| B | Transcriptional regulatory protein desr | protein | 133 | 42% helix, 22% strand | O34723 |
Ligands and binding sites
- BEF · Beryllium trifluoride ion · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
- GOL · Glycerol · additive · chains 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 105 | 0.41 | 0.77 | 18 | MG, BEF |
Interfaces
1 interface between chains.
- A–B · 923 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4LE0 · Crystal structure of the receiver domain of DesR in complex with beryllofluoride and… · the same entry in another collection · chain A against A, TM-score 1.00
- O34723 · AlphaFold monomer V2.0 prediction for transcriptional regulatory protein desr (O34723) · 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 O34723
- Elsewhere: RCSB PDB 4LE0 · PDBe 4LE0 · UniProt O34723
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