Research workbench
Crystal structure of the anthrax toxin protective antigen heptameric prepore bound to the vwa domain of CMG2, an anthrax toxin receptor
Analyse Crystal structure of the anthrax toxin protective antigen heptameric prepore… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1TZN
- Type
- protein
- Length
- 10,262 residues
- Chains
- 28
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protective antigen; Anthrax toxin receptor 2
- UniProt
- P13423, P58335
- Ligands
- CA, MG
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L, M, O | Protective antigen | protein | 552 | 17% helix, 26% strand | P13423 |
| a, b, c, d, e, f, g, h, i, j, k, l, m, o | Anthrax toxin receptor 2 | protein | 181 | 43% helix, 19% strand | P58335 |
Ligands and binding sites
- CA · Calcium ion · metal · 28 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, O
- MG · Magnesium ion · metal · 14 copies · chains A, a, B, b, C, c, D, d, E, e, F, f, G, g, H, h, I, i, J, j, K, k, L, l, M, m, O, o
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 | 852 | 0.82 | 0.84 | 106 | empty |
| 2 | 966 | 0.82 | 0.83 | 97 | empty |
| 3 | 1097 | 0.82 | 0.83 | 115 | empty |
| 4 | 1002 | 0.81 | 0.83 | 100 | empty |
| 5 | 999 | 0.81 | 0.82 | 102 | empty |
Interfaces
28 interfaces between chains.
- L–M · 2190 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 2178 Ų buried · 22 hydrogen bonds · protein-protein
- G–H · 2177 Ų buried · 27 hydrogen bonds · protein-protein
- K–L · 2154 Ų buried · 24 hydrogen bonds · protein-protein
- I–J · 2150 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 disulfide (disulfide).
Compared structures
- 1TZN · Crystal Structure of the Anthrax Toxin Protective Antigen Heptameric Prepore bound to the… · the same entry in another collection · chain F against F, TM-score 1.00
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 P58335
- Elsewhere: RCSB PDB 1TZN · PDBe 1TZN · UniProt P13423 · UniProt P58335
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.