3I6Z: 3D Structure of Torpedo californica acetylcholinesterase complexed with N-saccharinohexyl-galanthamine

Citation:
Abstract
N-Piperidinopropyl-galanthamine (2) and N-saccharinohexyl-galanthamine (3) were used to investigate interaction sites along the active site gorge of Torpedo californica actylcholinesterase (TcAChE). The crystal structure of TcAChE-2 solved at 2.3 A showed that the N-piperidinopropyl group in 2 is not stretched along the gorge but is folded over the galanthamine moiety. This result was unexpected because the three carbon alkyl chain is just long enough for the bulky piperidine group to be placed above the bottleneck (Tyr121, Phe330) midway down the gorge. The crystal structure of TcAChE-3 at 2.2 A confirmed that a dual interaction with the sites at the bottom, and at the entrance of the gorge, enhances inhibitory activity: a chain of six carbon atoms has, in this class of derivatives, the correct length for optimal interactions with the peripheral anionic site (PAS).
PDB ID: 3I6ZDownload
MMDB ID: 79258
PDB Deposition Date: 2009/7/7
Updated in MMDB: 2017/11
Experimental Method:
x-ray diffraction
Resolution: 2.19  Å
Source Organism:
Similar Structures:
Biological Unit for 3I6Z: dimeric; determined by author and by software (PISA)
Molecular Components in 3I6Z
Label Count Molecule
Proteins (2 molecules)
2
Acetylcholinesterase
Molecule annotation
Chemicals (6 molecules)
1
4
2
2
* Click molecule labels to explore molecular sequence information.

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