MolNFT v1 · #127016 · protein
Crystal structure of the receptor-binding domain of botulinum neurotoxin A1 (crystal form 1)
5MK6 · Botulinum neurotoxin type a: “Crystal structure of the receptor-binding domain of botulinum neurotoxin A1 (crystal form 1)”. X-ray diffraction, 1 ligand (NA), 3 pockets (best druggability 0.66). MolNFT v1 #127016 on GenesisL1: 3D…
- PDB
- 5MK6
- Type
- protein
- Length
- 421 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Botulinum neurotoxin type a
- EC
- 3.4.24.69
- UniProt
- P10845
- Ligands
- NA
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Botulinum neurotoxin type a (EC 3.4.24.69) | protein | 421 | 7% helix, 46% strand | P10845 |
Ligands and binding sites
- NA · Sodium ion · metal · 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 | 198 | 0.66 | 0.86 | 36 | empty |
| 2 | 59 | 0.37 | 0.79 | 21 | empty |
| 3 | 56 | 0.32 | 0.77 | 20 | empty |
Compared structures
- 5MK6 · Crystal structure of the receptor-binding domain of botulinum neurotoxin A1 (crystal form… · 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 P10845
- Elsewhere: RCSB PDB 5MK6 · PDBe 5MK6 · UniProt P10845
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