› 7rb5

X-ray diffraction
2.8Å resolution

Room temperature structure of hAChE in complex with substrate analog 4K-TMA

Released:
DOI: 10.2210/pdb7rb5/pdb
PDB entry 7rb5 coloured by chain, front view.
PDB entry 7rb5 coloured by chain, side view.
PDB entry 7rb5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure
Gerlits O, Blakeley MP, Keen DA, Radic Z, Kovalevsky A
Curr Res Struct Biol 3 206-215 (2021)

Function and Biology Details

Reaction catalysed: 
Acetylcholine + H(2)O = choline + acetate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149584 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acetylcholinesterase Chain: A
Molecule details ›
Chain: A
Length: 550 amino acids
Theoretical weight: 60.29 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: P22303 (Residues: 32-578; Coverage: 94%)
Gene name: ACHE
Sequence domains: Carboxylesterase family

Ligands and Environments

1 bound ligand:
Ligand NWA 1 x NWA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P3112
Unit cell:
a: 125.583Å b: 125.583Å c: 131.024Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.197 0.195 0.233
Expression system: Homo sapiens

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