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2cek, resolution 2.20Å ()
Sites:	, , , , , , , , , and
Ligands:	, , , ,
Activity:	Acetylcholinesterase, with EC number 3.1.1.7
Related:	1acj, 1acl, 1amn, 1ax9, 1cfj, 1dx6, 1e3q, 1e66, 1ea5, 1eea, 1eve, 1fss, 1gpk, 1gpn, 1gqr, 1gqs, 1h22, 1h23, 1hbj, 1jga, 1jgb, 1jjb, 1oce, 1odc, 1qid, 1qie, 1qif, 1qig, 1qih, 1qii, 1qij, 1qik, 1qim, 1qti, 1som, 1u65, 1ut6, 1vot, 1vxo, 1vxr, 1w4l, 1w6r, 1w75, 1w76, 1zgb, 1zgc, 2ace, 2ack, 2c4h, 2c58, 2c5f, 2c5g, 2dfp, 3ace, 4ace
Structural annotation: Resources: CATH : 2Ceka00 InterPro : Ipr000908, Ipr002018, Ipr000997 Pfam : PF00135 UniProt : P04058
Functional annotation: Cellular component: membrane cell junction synapse Biological process: acetylcholine catabolic process in synaptic cleft neurotransmitter catabolic process Molecular function: hydrolase activity GPI anchor binding cholinesterase activity acetylcholinesterase activity
Evolutionary conservation: Toggle Conservation Colors: Rows = identical sequences: Further Information: Caveats, Explanation, Complete Results at ConSurfDB
Resources:	FirstGlance, OCA, PDBsum, RCSB
Coordinates:	save as pdb, mmCIF, xml

Conformational flexibility in the peripheral site of Torpedo californica acetylecholinesterase revealed by the complex structure with a bifunctional inhibitor

Overview

The X-ray crystallographic structure of Torpedo californica acetylcholinesterase (TcAChE) in complex with the bifunctional inhibitor NF595, a potentially new anti-Alzheimer drug, has been solved. For the first time in TcAChE, a major conformational change in the peripheral-site tryptophan residue is observed upon complexation. The observed conformational flexibility highlights the dynamic nature of protein structures and is of importance for structure-based drug design.

About this Structure

2CEK is a Single protein structure of sequence from Torpedo californica with , , , and as ligands. Active as acetylcholinesterase, with EC number 3.1.1.7 Known structural/functional Site: . Full crystallographic information is available from OCA.

Down the gorge

binds both the active and peripheral sites. It is mainly bound to through pi-pi interactions. The n-carbon long linker spans the gorge.

Reference

Conformational flexibility in the peripheral site of Torpedo californica acetylcholinesterase revealed by the complex structure with a bifunctional inhibitor., Colletier JP, Sanson B, Nachon F, Gabellieri E, Fattorusso C, Campiani G, Weik M, J Am Chem Soc. 2006 Apr 12;128(14):4526-7. PMID:16594661

Page seeded by OCA on Thu Feb 21 16:47:47 2008