MolNFT v1 · #72644 · protein
Crystal structure of the chimeric muscarinic toxin MT7 with loop 3 from MT1
3NEQ · Three-finger muscarinic toxin 7: “Crystal structure of the chimeric muscarinic toxin MT7 with loop 3 from MT1”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.38). MolNFT v1 #72644 on GenesisL1: 3D structure…
- PDB
- 3NEQ
- Type
- protein
- Length
- 132 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Three-finger muscarinic toxin 7
- UniProt
- Q8QGR0, P81030
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.38
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Three-finger muscarinic toxin 7 | protein | 66 | 0% helix, 52% strand | Q8QGR0, P81030 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 110 | 0.38 | 0.74 | 25 | empty |
| 2 | 60 | 0.32 | 0.76 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 375 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 3NEQ · Crystal structure of the chimeric muscarinic toxin MT7 with loop 3 from MT1 · the same entry in another collection · chain B against B, TM-score 1.00
- P81030 · AlphaFold monomer V2.0 prediction for muscarinic toxin 1 (P81030) · a predicted model of the same protein · chain A against A, TM-score 0.86
- Q8QGR0 · AlphaFold monomer V2.0 prediction for muscarinic toxin 7 (Q8QGR0) · a predicted model of the same protein · chain B against A, TM-score 0.84
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 Q8QGR0
- Every structure of UniProt P81030
- Elsewhere: RCSB PDB 3NEQ · PDBe 3NEQ · UniProt Q8QGR0 · UniProt P81030
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