MolNFT v1 · #172277 · protein
Fully-loaded anthrax lethal toxin in its heptameric pre-pore state and PA7LF(2+1B) arrangement
6ZXK · Protective antigen: “Fully-loaded anthrax lethal toxin in its heptameric pre-pore state and PA7LF(2+1B) arrangement”. Electron microscopy, 20 pockets (best druggability 0.85). MolNFT v1 #172277 on GenesisL1: 3D structure, binding…
- PDB
- 6ZXK
- Type
- protein
- Length
- 5,772 residues
- Chains
- 10
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protective antigen; Lethal factor
- EC
- 3.4.24.83
- UniProt
- Q68GS1, P15917
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 5 distinct chains · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, E, F, G | Protective antigen | protein | 529 | 19% helix, 30% strand | Q68GS1 |
| D | Protective antigen | protein | 528 | 17% helix, 30% strand | Q68GS1 |
| H | Lethal factor (EC 3.4.24.83) | protein | 699 | 51% helix, 10% strand | P15917 |
| I | Lethal factor (EC 3.4.24.83) | protein | 710 | 51% helix, 13% strand | P15917 |
| J | Lethal factor (EC 3.4.24.83) | protein | 661 | 51% helix, 14% strand | P15917 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1032 | 0.85 | 0.86 | 119 | empty |
| 2 | 817 | 0.83 | 0.86 | 102 | empty |
| 3 | 792 | 0.82 | 0.85 | 85 | empty |
| 4 | 807 | 0.81 | 0.84 | 83 | empty |
| 5 | 1062 | 0.81 | 0.82 | 129 | empty |
Interfaces
15 interfaces between chains.
- E–F · 1397 Ų buried · 15 hydrogen bonds · protein-protein
- F–G · 1394 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 1392 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 1380 Ų buried · 10 hydrogen bonds · protein-protein
- D–E · 1375 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 6ZXK · Fully-loaded anthrax lethal toxin in its heptameric pre-pore state and PA7LF(2+1B)… · the same entry in another collection · chain J against J, TM-score 1.00
- P15917 · AlphaFold monomer V2.0 prediction for lethal factor (P15917) · a predicted model of the same protein · chain H against A, TM-score 0.98
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 Q68GS1
- Every structure of UniProt P15917
- Elsewhere: RCSB PDB 6ZXK · PDBe 6ZXK · UniProt Q68GS1 · UniProt P15917
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