MolNFT v1 · #166737 · protein
Anthrax toxin protective antigen channels bound to edema factor
6UZD: “Anthrax toxin protective antigen channels bound to edema factor”. Electron microscopy, 1 ligand (CA), 20 pockets (best druggability 0.81). MolNFT v1 #166737 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6UZD
- Type
- protein
- Length
- 5,374 residues
- Chains
- 9
- 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 0.81
Structure
electron microscopy · 2 distinct chains · 27% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G | Protective antigen | protein | 562 | 12% helix, 41% strand | P13423 |
| H, I | Calmodulin-sensitive adenylate cyclase (EC 4.6.1.1) | protein | 720 | 38% 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 | 863 | 0.81 | 0.83 | 94 | empty |
| 2 | 367 | 0.76 | 0.86 | 60 | empty |
| 3 | 538 | 0.76 | 0.83 | 68 | empty |
| 4 | 77 | 0.74 | 0.98 | 20 | empty |
| 5 | 90 | 0.74 | 0.96 | 21 | empty |
Interfaces
14 interfaces between chains.
- D–E · 3903 Ų buried · 86 hydrogen bonds · protein-protein
- A–G · 3890 Ų buried · 87 hydrogen bonds · protein-protein
- C–D · 3880 Ų buried · 74 hydrogen bonds · protein-protein
- F–G · 3876 Ų buried · 86 hydrogen bonds · protein-protein
- A–B · 3835 Ų buried · 80 hydrogen bonds · protein-protein
Compared structures
- 6UZD · Anthrax toxin protective antigen channels bound to edema factor · the same entry in another collection · chain I against I, 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 6UZD · PDBe 6UZD · UniProt P13423 · UniProt P40136
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