MolNFT v1 · #99797 · protein
Crystal structure of bacillus subtilis toxin mazf in complex with cognate antitoxin maze
4ME7 · MRNA interferase endoa: “Crystal structure of bacillus subtilis toxin mazf in complex with cognate antitoxin maze”. X-ray diffraction, 5 pockets (best druggability 0.59). MolNFT v1 #99797 on GenesisL1: 3D structure, binding sites…
- PDB
- 4ME7
- Type
- protein
- Length
- 583 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MRNA interferase endoa; Antitoxin endoai
- EC
- 3.1.-.-
- UniProt
- P96622, P96621
- Pockets
- 5 · best druggability 0.59
Structure
x-ray diffraction · 6 distinct chains · 36% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MRNA interferase endoa (EC 3.1.-.-) | protein | 105 | 23% helix, 32% strand | P96622 |
| B | MRNA interferase endoa (EC 3.1.-.-) | protein | 108 | 19% helix, 40% strand | P96622 |
| C | MRNA interferase endoa (EC 3.1.-.-) | protein | 110 | 19% helix, 37% strand | P96622 |
| D | MRNA interferase endoa (EC 3.1.-.-) | protein | 103 | 20% helix, 40% strand | P96622 |
| E | Antitoxin endoai | protein | 78 | 79% helix, 5% strand | P96621 |
| F | Antitoxin endoai | protein | 79 | 78% helix, 5% strand | P96621 |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 194 | 0.59 | 0.81 | 38 | empty |
| 2 | 216 | 0.50 | 0.75 | 40 | empty |
| 3 | 78 | 0.48 | 0.83 | 16 | empty |
| 4 | 69 | 0.31 | 0.74 | 18 | empty |
| 5 | 61 | 0.30 | 0.75 | 16 | empty |
Interfaces
7 interfaces between chains.
- E–F · 1916 Ų buried · 30 hydrogen bonds · protein-protein
- B–E · 903 Ų buried · 7 hydrogen bonds · protein-protein
- C–F · 886 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 828 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 815 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 22 modified (engineered).
Compared structures
- 4ME7 · Crystal structure of Bacillus subtilis toxin MazF in complex with cognate antitoxin MazE · the same entry in another collection · chain F against F, TM-score 1.00
- P96622 · AlphaFold monomer V2.0 prediction for endoribonuclease endoa (P96622) · a predicted model of the same protein · chain D against A, TM-score 0.96
- P96621 · AlphaFold monomer V2.0 prediction for antitoxin endoai (P96621) · a predicted model of the same protein · chain E against A, TM-score 0.84
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 P96622
- Every structure of UniProt P96621
- Elsewhere: RCSB PDB 4ME7 · PDBe 4ME7 · UniProt P96622 · UniProt P96621
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