PDBsum entry 6eue

Hydrolase

PDB id: 6eue

Contents

Protein chain

532 a.a.

Ligands

1PE ×5

NAG ×2

Waters ×389

PDB id:

6eue

Name:

Hydrolase

Title:

Rivastigmine analogue bound to tc ache.

Structure:

Acetylcholinesterase. Chain: a. Synonym: ache. Other_details: tc ache with carbamylated ser200

Source:

Tetronarce californica. Pacific electric ray. Organism_taxid: 7787

Resolution:

2.00Å R-factor: 0.197 R-free: 0.225

Authors:

E.De La Mora,X.Brazzolotto,S.N.Dighe,I.Silman,M.Weik,B.Ross

Key ref:

S.N.Dighe et al. Analogues of rivastigmine and nap for the cns deliver polyphenols with putative alzheimer disease-Modifying properties. To be published, .

Date:

30-Oct-17 Release date: 14-Nov-18

Protein chain

P04058  (ACES_TETCF) -  Acetylcholinesterase from Tetronarce californica

Seq: 586 a.a.

Struc: 532 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

Enzyme reactions

• Enzyme class: E.C.3.1.1.7 - acetylcholinesterase.
• Reaction: acetylcholine + H2O = choline + acetate + H⁺

acetylcholine (Bound ligand (Het Group name = NAG) matches with 41.18% similarity) + H2O = choline + acetate + H(+)

Molecule diagrams generated from .mol files obtained from the KEGG ftp site