MolNFT v1 · #92112 · protein
Crystal structure of the intact E. COLI relbe toxin-antitoxin complex
4FXE · Antitoxin relb: “Crystal structure of the intact E. COLI relbe toxin-antitoxin complex”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.40). MolNFT v1 #92112 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4FXE
- Type
- protein
- Length
- 425 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antitoxin relb; MRNA interferase rele
- EC
- 3.1.-.-
- UniProt
- P0C079, P0C077
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.40
Structure
x-ray diffraction · 6 distinct chains · 48% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Antitoxin relb | protein | 68 | 71% helix, 7% strand | P0C079 |
| B | Antitoxin relb | protein | 78 | 63% helix, 12% strand | P0C079 |
| C | Antitoxin relb | protein | 47 | 57% helix, 6% strand | P0C079 |
| D | MRNA interferase rele (EC 3.1.-.-) | protein | 71 | 35% helix, 32% strand | P0C077 |
| E | MRNA interferase rele (EC 3.1.-.-) | protein | 82 | 34% helix, 32% strand | P0C077 |
| F | MRNA interferase rele (EC 3.1.-.-) | protein | 79 | 37% helix, 33% strand | P0C077 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 122 | 0.40 | 0.75 | 20 | empty |
| 2 | 96 | 0.39 | 0.76 | 18 | empty |
| 3 | 57 | 0.29 | 0.74 | 13 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1923 Ų buried · 33 hydrogen bonds · protein-protein
- B–E · 1290 Ų buried · 20 hydrogen bonds · protein-protein
- C–F · 1178 Ų buried · 20 hydrogen bonds · protein-protein
- A–D · 666 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 304 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4FXE · Crystal structure of the intact E. coli RelBE toxin-antitoxin complex · the same entry in another collection · chain F against F, TM-score 1.00
- P0C077 · AlphaFold monomer V2.0 prediction for mRNA interferase toxin rele (P0C077) · a predicted model of the same protein · chain F against A, TM-score 0.97
- P0C079 · AlphaFold monomer V2.0 prediction for antitoxin relb (P0C079) · 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 P0C079
- Every structure of UniProt P0C077
- Elsewhere: RCSB PDB 4FXE · PDBe 4FXE · UniProt P0C079 · UniProt P0C077
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.