MolNFT v1 · #92115 · protein
Crystal structure of the isolated E. COLI rele toxin, P212121 form
4FXH · MRNA interferase rele: “Crystal structure of the isolated E. COLI rele toxin, P212121 form”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.62). MolNFT v1 #92115 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4FXH
- Type
- protein
- Length
- 182 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MRNA interferase rele
- EC
- 3.1.-.-
- UniProt
- P0C077
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MRNA interferase rele (EC 3.1.-.-) | protein | 88 | 36% helix, 25% strand | P0C077 |
| B | MRNA interferase rele (EC 3.1.-.-) | protein | 94 | 34% helix, 30% strand | P0C077 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 461 | 0.62 | 0.76 | 47 | empty |
Interfaces
1 interface between chains.
- A–B · 1270 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (artifact).
Compared structures
- 4FXH · Crystal structure of the isolated E. coli RelE toxin, P212121 form · the same entry in another collection · chain B against B, TM-score 1.00
- P0C077 · AlphaFold monomer V2.0 prediction for mRNA interferase toxin rele (P0C077) · a predicted model of the same protein · chain A against A, TM-score 0.83
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 P0C077
- Elsewhere: RCSB PDB 4FXH · PDBe 4FXH · UniProt P0C077
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