MolNFT v1 · #23418 · protein
Crystal structure of the anthrax toxin protective antigen heptameric prepore
1TZO: “Crystal structure of the anthrax toxin protective antigen heptameric prepore”. X-ray diffraction, 1 ligand (CA), 20 pockets (best druggability 0.82). MolNFT v1 #23418 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1TZO
- Type
- protein
- Length
- 7,742 residues
- Chains
- 14
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protective antigen
- UniProt
- P13423
- Ligands
- CA
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 29% 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 | 553 | 16% helix, 29% strand | P13423 |
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
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 | 886 | 0.82 | 0.84 | 88 | empty |
| 2 | 868 | 0.82 | 0.84 | 78 | empty |
| 3 | 966 | 0.82 | 0.83 | 89 | empty |
| 4 | 1051 | 0.82 | 0.83 | 99 | empty |
| 5 | 944 | 0.82 | 0.83 | 84 | empty |
Interfaces
14 interfaces between chains.
- D–E · 2241 Ų buried · 26 hydrogen bonds · protein-protein
- K–L · 2201 Ų buried · 25 hydrogen bonds · protein-protein
- J–K · 2192 Ų buried · 23 hydrogen bonds · protein-protein
- B–C · 2188 Ų buried · 22 hydrogen bonds · protein-protein
- G–H · 2174 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 1TZO · Crystal Structure of the Anthrax Toxin Protective Antigen Heptameric Prepore · the same entry in another collection · chain O against O, 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
- Elsewhere: RCSB PDB 1TZO · PDBe 1TZO · UniProt P13423
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