MolNFT v1 · #145533 · protein

Crystal structure of recombinant human acetylcholinesterase in complex with vx(-) and hi-6

6CQW: “Crystal structure of recombinant human acetylcholinesterase in complex with vx(-) and hi-6”. X-ray diffraction, 4 ligands (VX, HI6, NAG). MolNFT v1 #145533 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6CQW
Type: protein
Length: 1,064 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P22303
Ligands: VX, HI6, NAG, FUC

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	533	—	P22303
B	—	protein	531	—	P22303

Ligands and binding sites

VX · O-ethylmethylphosphonic acid ester group · ligand · 2 copies · chains A, B
HI6 · 4-(aminocarbonyl)-1-[({2-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium · ligand · 2 copies · chains A, B
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 copies · chains A, B
FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

6CQW · Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with VX(-) and HI-6 · 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 6CQW · PDBe 6CQW · UniProt P22303

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