MolNFT v1 · #166736 · protein
Anthrax toxin protective antigen channels bound to edema factor
6UZB: “Anthrax toxin protective antigen channels bound to edema factor”. Electron microscopy, 1 ligand (CA), 20 pockets (best druggability 0.78). MolNFT v1 #166736 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6UZB
- Type
- protein
- Length
- 4,654 residues
- Chains
- 8
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protective antigen; Calmodulin-sensitive adenylate cyclase
- EC
- 4.6.1.1
- UniProt
- P13423, P40136
- Ligands
- CA
- Pockets
- 20 · best druggability 0.78
Structure
electron microscopy · 2 distinct chains · 31% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G | Protective antigen | protein | 562 | 14% helix, 38% strand | P13423 |
| H | Calmodulin-sensitive adenylate cyclase (EC 4.6.1.1) | protein | 720 | 45% helix, 7% strand | P40136 |
Ligands and binding sites
- CA · Calcium ion · metal · 14 copies · chains A, B, C, D, E, F, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 450 | 0.78 | 0.86 | 55 | empty |
| 2 | 459 | 0.75 | 0.84 | 69 | empty |
| 3 | 76 | 0.74 | 0.98 | 22 | empty |
| 4 | 74 | 0.74 | 0.97 | 21 | empty |
| 5 | 80 | 0.74 | 0.97 | 21 | empty |
Interfaces
9 interfaces between chains.
- B–C · 3935 Ų buried · 77 hydrogen bonds · protein-protein
- D–E · 3883 Ų buried · 81 hydrogen bonds · protein-protein
- C–D · 3882 Ų buried · 69 hydrogen bonds · protein-protein
- E–F · 3851 Ų buried · 85 hydrogen bonds · protein-protein
- A–B · 3849 Ų buried · 63 hydrogen bonds · protein-protein
Compared structures
- 6UZB · Anthrax toxin protective antigen channels bound to edema factor · the same entry in another collection · chain H against H, TM-score 1.00
- P13423 · AlphaFold monomer V2.0 prediction for protective antigen (P13423) · a predicted model of the same protein · chain A against A, TM-score 0.79
- P40136 · AlphaFold monomer V2.0 prediction for calmodulin-sensitive adenylate cyclase (P40136) · a predicted model of the same protein · chain H against A, TM-score 0.53
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 P13423
- Every structure of UniProt P40136
- Elsewhere: RCSB PDB 6UZB · PDBe 6UZB · UniProt P13423 · UniProt P40136
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