MolNFT v1 · #145530 · protein
Crystal structure of recombinant human acetylcholinesterase inhibited by (-) stereoisomer of vx
6CQT: “Crystal structure of recombinant human acetylcholinesterase inhibited by (-) stereoisomer of vx”. X-ray diffraction, 3 ligands (VX, NAG, FUC). MolNFT v1 #145530 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6CQT
- Type
- protein
- Length
- 1,062 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P22303
- Ligands
- VX, NAG, FUC
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 531 | — | P22303 |
| B | — | protein | 531 | — | P22303 |
Ligands and binding sites
- VX · O-ethylmethylphosphonic acid ester group · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A, B
- FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A, B
- 7PE · 2-(2-(2-(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)ethoxy) ethoxy)ethanol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6CQT · Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by (-) Stereoisomer… · the same entry in another collection · chain A against A, TM-score 1.00
- P22303 · AlphaFold monomer V2.0 prediction for acetylcholinesterase (P22303) · a predicted model of the same protein · 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 P22303
- Elsewhere: RCSB PDB 6CQT · PDBe 6CQT · UniProt P22303
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