Acetylcholinesterase

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Torpedo california AChE complex with acetylcholine (PDB code 2ace)

Contents

3D Structures of AChE

Updated on 24-September-2014

Acetylcholinesterase - AChE native

3lii, 4ey4 – hAChE - recombinant human
1ea5, 2aceTcAChE – trigonal – Torpedo californica
2j3dTcAChE – monoclinic
1w75TcAChE – orthorhombic
2vt6, 2vt7TcAChE – different dosage
1qid to 1qim - TcAChE synchrotron radiation damage
1j06, 1maa – mAChE - mouse
1qo9DmAChE - Drosophila melanogaster
1eea, 1c2b, 1c2o – AChE – Electric eel

AChE inhibitors (In Different Languages)

1eve AChE-Aricept complex, 1eve (Arabic), 1eve (Chinese), 1eve (Italian), 1eve (Russian), 1eve (Spanish), 1eve (Turkish)
1vot AChE-Huperzine A complex, 1vot (Chinese)

AChE active site inhibitors conjugating at the bottom of the active site gorge

2c4hTcAChE + acetylthiocholine
2w9iTcAChE + methylene blue
2wls – MosAChE + AMTS13
2vq6TcAChE + 2-PAM
2j3qTcAChE + Thioflavin T
2ha0 – mAChE + ketoamyltrimethylammonium
2h9y – mAChE + TMTFA
3zlt – mAChE + RVX
3zlu – mAChE + cyclosarin
3zlv – mAChE + tabun + HI-6
4bc0, 4bc1 – mAChE + CBDP
1gpk, 1gpn, 1votTcAChE + huperzine
4ey5 – hAChE + huperzine
1gqrTcAChE + rivastigmine
1gqsTcAChE + NAP
1e66TcAChE + huprine
4a16 – mAChE + huprine
1dx4, 1qonDmAChE + tacrine derivative
1oceTcAChE + MF268
1ax9, 1ackTcAChE + edrophonium
1amnTcAChE + TMTFA
1acjTcAChE + tacrine
1u65TcAChE + CPT-11
2bag - TcAChE + ganstigmine
2xi4 - TcAChE + aflatoxin
4ara, 4arb, 4a23, 4b7z, 4b80, 4b81, 4b82, 4b83, 4b84, 4b85, 4btl - mAChE + inhibitor
2xuf, 2xug, 2xuh, 2xui, 2xuj, 2xuk, 2xuo, 2xup, 2xuq - mAChE (mutant) + inhibitor
4m0e, 4m0f - hAChE + inhibitor

AChE peripheral site inhibitors conjugating at the surface of the protein

1ku6, 1mah - mAChE + fasciculin 2
1j07 - mAChE + decidium
1n5m - mAChE + gallamine
1n5r - mAChE + propidium
1b41, 1f8u, 4ey8 - hAChE + fasciculin 2
1fss - TcAChE + fasciculin 2
2x8b - hAChE + fasciculin 2 + tabun
4bdt - hAChE + fasciculin 2 + huprine W

AChE bis inhibitors spanning the active site gorge

3i6mTcAChE + N-piperidinopropyl galanthamine
3i6z - TcAChE + saccharinohexyl galanthamine
1zgb, 1zgcTcAChE + tacrine (10) hupyridone
2w6cTcAChE + bis-(-)-nor-meptazinol
2ckm, 2cmfTcAChE + bis-tacrine
2cekTcAChE + N-[8-(1,2,3,4-tetrahydroacridin-9-ylthio)octyl]-1,2,3,4-tetrahydroacridin-9-amine
1ut6 - TcAChE + N-9-(1,2,3,4-tetrahydroacridinyl)-1,8-diaminooctane
1odc - TcAChE + N-4-quinolyl-N-9-(1,2,3,4-tetrahydroacridinyl)-1,8-diaminooctane
1w4l, 1w6r, 1w76, 1dx6, 1qti - TcAChE + galanthamine and derivative
4ey6 - hAChE + galanthamine
4ey7 - hAChE + donepezil
1q83, 1q84 - mAChE + TZ2PA6
1h22, 1h23TcAChE + bis-hupyridone
1hbjTcAChE + quinoline derivativev
1e3qTcAChE + bw284c51
1eveTcAChE + e2020
1aclTcAChE + decamethonium
2xud – TcAChE (mutant) + decamethonium
3zv7 - TcAChE + bisnorcymserine


AChE organophosphate inhibitors causing irreversible inhibition

2wu3 – mAChE + fenamiphos and HI-6
2wu4 – mAChE + fenamiphos and ortho-7
2jgf - mAChE + fenamiphos
2wfz, 2wg0, 2wg2, 1som - TcAChE + soman
2wg1 - TcAChE + soman + 2-PAM
2whp, 2whq, 2whr – mAChE + sarin and HI-6
2jgg, 2y2v - mAChE + sarin
2jgl - mAChE + VX and sarin
1cfj - TcAChE + sarin, GB
3dl4, 3dl7 – mAChE + tabun
2jey – mAChE + HLO-7
2c0p, 2c0q - mAChE + tabun
2jez - mAChE + tabun + HLO-7
2jf0 - mAChE + tabun + Ortho-7
2jgh, 2y2u - mAChE + VX
1vxo, 1vxr - TcAChE + VX
2jgi, 2jgm - mAChE + DFP
1dfp - TcAChE + DFP
2jgj, 2jgk, 2jge - mAChE + methamidophos
2gyu - mAChE + HI-6
2gyv - mAChE + Ortho-7
2gyw - mAChE + obidoxime
3gel - TcAChE + methyl paraoxon
2dfp – TcAChE aged

AChE substrate analogues mimicking the binding of the substrate acetylcholine

2ha4 – mAChE (mutant) + acetylcholine
2vja, 2vjb, 2vjc, 2vjd, 2cf5TcAChE + 4-oxo-N,N,N-trimethylpentanaminium
2v96, 2v97, 2v98, 2v99TcAChE + 1-(2-nitrophenyl)-2,2,2-trifluoroethyl-arsenocholine
2ha2 – mAChE + succinylcholine
2ha3 - mAChE + choline
2ha5 – mAChE (mutant) + acetylthiocholine
2ha6 – mAChE (mutant) + succinylthiocholine
2ha7 – mAChE (mutant) + butyrylthiocholine
2ch4, 2c58TcAChE + acetylthiocholine
2c5gTcAChE + thiocholine
2c5f – TcAChE + substrate analog
2va9 - TcAChE + ‘caged’ arsenocholine

Others...

2j4fTcAChE + Hg
1vzjTcAChE tetramerization domain
1jjbTcAChE + PEG
1qie, 1qif, 1qig, 1qih, 1qii, 1qij, 1qik – TcAChE synchrotron radiation damage
3m3d – TcAChE + Xe

Additional Resources

For additional information, see:
Alzheimer's Disease
AChE inhibitors and substrates
AChE inhibitors and substrates (Part II)
AChE inhibitors and substrates (Part III)
AChE bivalent inhibitors
AChE bivalent inhibitors (Part II)

External Links

References


Treatments:AChE Inhibitor References
Treatments:Alzheimer's Disease

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Alexander Berchansky, Michal Harel, Joel L. Sussman, David Canner, Eran Hodis, Clifford Felder, Jaime Prilusky, Harry Greenblatt, Yechun Xu

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