MolNFT v1 · #156521 · protein
Crystal structure the toxin-antitoxin mnta-hpet mutant-D39ED41E
6M6U · Toxin-antitoxin system antitoxin mnta family: “Crystal structure the toxin-antitoxin mnta-hpet mutant-D39ED41E”. X-ray diffraction, 15 pockets (best druggability 0.80). MolNFT v1 #156521 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6M6U
- Type
- protein
- Length
- 1,030 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Toxin-antitoxin system antitoxin mnta family; Toxin-antitoxin system toxin hepn family
- UniProt
- Q8ECH7, Q8ECH6
- Pockets
- 15 · best druggability 0.80
Structure
x-ray diffraction · 7 distinct chains · 70% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Toxin-antitoxin system antitoxin mnta family | protein | 122 | 53% helix, 19% strand | Q8ECH7 |
| B, C | Toxin-antitoxin system toxin hepn family | protein | 132 | 78% helix, 0% strand | Q8ECH6 |
| D | Toxin-antitoxin system toxin hepn family | protein | 131 | 76% helix, 0% strand | Q8ECH6 |
| F | Toxin-antitoxin system antitoxin mnta family | protein | 124 | 55% helix, 19% strand | Q8ECH7 |
| G | Toxin-antitoxin system toxin hepn family | protein | 130 | 78% helix, 0% strand | Q8ECH6 |
| H | Toxin-antitoxin system toxin hepn family | protein | 131 | 76% helix, 0% strand | Q8ECH6 |
| I | Toxin-antitoxin system toxin hepn family | protein | 128 | 75% helix, 0% strand | Q8ECH6 |
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 363 | 0.80 | 0.90 | 54 | empty |
| 2 | 266 | 0.76 | 0.89 | 40 | empty |
| 3 | 153 | 0.71 | 0.90 | 25 | empty |
| 4 | 335 | 0.61 | 0.78 | 46 | empty |
| 5 | 70 | 0.59 | 0.90 | 20 | empty |
Interfaces
16 interfaces between chains.
- B–C · 970 Ų buried · 22 hydrogen bonds · protein-protein
- G–H · 928 Ų buried · 19 hydrogen bonds · protein-protein
- D–I · 788 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 714 Ų buried · 11 hydrogen bonds · protein-protein
- F–G · 696 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 6M6U · Crystal structure the toxin-antitoxin MntA-HpeT mutant-D39ED41E · the same entry in another collection · chain I against I, TM-score 1.00
- Q8ECH6 · AlphaFold monomer V2.0 prediction for mRNA nuclease hept (Q8ECH6) · a predicted model of the same protein · chain H against A, TM-score 0.99
- Q8ECH7 · AlphaFold monomer V2.0 prediction for protein adenylyltransferase mnta (Q8ECH7) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q8ECH7
- Every structure of UniProt Q8ECH6
- Elsewhere: RCSB PDB 6M6U · PDBe 6M6U · UniProt Q8ECH7 · UniProt Q8ECH6
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