MolNFT v1 · #148354 · protein
Crystal structure of the catalytic domain of botulinum neurotoxin X
6F47: “Crystal structure of the catalytic domain of botulinum neurotoxin X”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best druggability 0.71). MolNFT v1 #148354 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6F47
- Type
- protein
- Length
- 413 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catalytic domain of botulinum neurotoxin X
- Ligands
- ZN
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Catalytic domain of botulinum neurotoxin X | protein | 413 | 30% helix, 19% strand | — |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 619 | 0.71 | 0.79 | 62 | empty |
| 2 | 73 | 0.45 | 0.82 | 20 | empty |
| 3 | 80 | 0.36 | 0.75 | 13 | empty |
| 4 | 52 | 0.36 | 0.79 | 12 | empty |
Compared structures
- 6F47 · Crystal structure of the catalytic domain of botulinum neurotoxin X · 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 6F47 · PDBe 6F47
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