Research workbench
Botulinum neurotoxin A3 hc domain
Analyse Botulinum neurotoxin A3 hc domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6F0O
- Type
- protein
- Length
- 407 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bontoxilysin a
- EC
- 3.4.24.69
- UniProt
- B1L2G5
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bontoxilysin a (EC 3.4.24.69) | protein | 407 | 5% helix, 50% strand | B1L2G5 |
Ligands and binding sites
- PPI · Propanoic acid · additive · chains A
- 1PE · Pentaethylene glycol · additive · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 355 | 0.71 | 0.83 | 38 | EDO |
| 2 | 53 | 0.49 | 0.86 | 20 | empty |
| 3 | 70 | 0.34 | 0.76 | 21 | empty |
Compared structures
- 6F0O · Botulinum neurotoxin A3 Hc domain · 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
- Every structure of UniProt B1L2G5
- Elsewhere: RCSB PDB 6F0O · PDBe 6F0O · UniProt B1L2G5
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