Research workbench
Crystal structure of Glu335Ala mutant of Clostridium botulinum neurotoxin type E
Analyse Crystal structure of Glu335Ala mutant of Clostridium botulinum neurotoxin type E in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1ZN3
- Type
- protein
- Length
- 798 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.6
- Source
- Clostridium botulinum
- Molecule
- botulinum neurotoxin type E
- EC
- 3.4.24.69
- Ligands
- ZN, CL
- Pockets
- 6 · best druggability 0.82
Structure
x-ray diffraction · resolution 2.6 · 2 distinct chains · 36% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | botulinum neurotoxin type E (EC 3.4.24.69) | protein | 411 | 34% helix, 18% strand | — |
| B | botulinum neurotoxin type E (EC 3.4.24.69) | protein | 387 | 37% helix, 18% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 996 | 0.82 | 0.83 | 100 | empty |
| 2 | 347 | 0.61 | 0.77 | 45 | ZN |
| 3 | 203 | 0.57 | 0.79 | 35 | CL |
| 4 | 81 | 0.35 | 0.75 | 23 | empty |
| 5 | 74 | 0.33 | 0.75 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1255 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 1ZN3 · Crystal structure of GLU335ALA mutant of clostridium botulinum neurotoxin type E · the same entry in another collection · chain A against A, 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
- Elsewhere: RCSB PDB 1ZN3 · PDBe 1ZN3
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